1,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-one

HCID 709667
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Basic information

CAS
305347-10-8
Standard SMILES
CC(C)CCn1c(=O)[nH]c2ccccc21
InChIKey
ALKJFGJPEBAMNI-UHFFFAOYSA-N
Molecular formula
C12H16N2O
Average molar mass
204.27 g/mol
Monoisotopic mass
204.12626313

Names & identifiers

Preferred name
1,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-one
IUPAC
3-(3-methylbutyl)-1H-benzimidazol-2-one

Names & synonyms

305347-10-81,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-oneRefChem:2185701-isopentyl-1H-benzo[d]imidazol-2(3H)-one1-(3-methylbutyl)-1,3-dihydro-2H-benzimidazol-2-one3-(3-methylbutyl)-1H-benzimidazol-2-oneCBMicro_003100MLS000776682SCHEMBL7376771-isopentyl-1,3-dihydro-2H-benzo[d]imidazol-2-oneF0852-0141CHEMBL1450850
Show more names
2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-methylbutyl)-DTXSID001224316HMS2753D14SMSF0018556STK738107AKOS001138390CB04791CCG-105311

Database identifiers

CAS
305347-10-8
PubChem CID
709667
DTXSID
DTXSID001224316
ChEMBL
CHEMBL1450850

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
15

Experimental & physicochemical properties

Solubility>30.6 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

2 records
New reaction record

Compound notes

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