2-Pentyl-1H-benzimidazole

HCID 22123
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Basic information

CAS
5851-46-7
Standard SMILES
CCCCCc1nc2ccccc2[nH]1
InChIKey
OYGJENONTDCXGW-UHFFFAOYSA-N
Molecular formula
C12H16N2
Average molar mass
188.27 g/mol
Monoisotopic mass
188.13134851

Names & identifiers

Preferred name
2-Pentyl-1H-benzimidazole
IUPAC
2-pentyl-1H-benzimidazole
English name
1H-Benzimidazole,2-pentyl-(9CI)
Molecular formula
C12H16N2
Molecular weight
188.27

Names & synonyms

5851-46-72-Pentyl-1H-benzimidazoleBENZIMIDAZOLE, 2-PENTYL-DTXSID20207231RefChem:1064110DTXCID201297222-pentyl-1H-benzo[d]imidazole2-Pentylbenzimidazole2-n-Amylbenzimidazole2-pentyl-1H-1,3-benzodiazole1H-Benzimidazole,2-pentyl-(9CI)2-n-Pentylbenzimidazole
Show more names
2-pentylbenzoimidazole2-amyl-1H-benzimidazole2-Pentyl-1H-benzoimidazole2-pentyl-1H-benzimidazole v
1H-Benzimidazole, 2-pentyl-MFCD00628961CHEMBL155867BRN 01283022-Amylbenzimidazole5-23-07-00048 (Beilstein Handbook Reference)2-Pentyl-1H-benzimidazole #SCHEMBL170803

Database identifiers

CAS
5851-46-7
PubChem CID
22123
DTXSID
DTXSID20207231
ChEMBL
CHEMBL155867
Nikkaji
J41.304F

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
155 · 155-156 °C
Boiling point
250 °C · 250 °C
Density
1.061 · 1.061±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
11.99 · 11.99±0.10(Predicted)
InChI
InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)

Chemistry & industry

Upstream & downstream products

Suppliers86 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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