2-(1H-Pyrrol-2-yl)-1H-benzimidazole

HCID 639419

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Basic information

CAS: 3878-23-7
Standard SMILES: c1c[nH]c(-c2nc3ccccc3[nH]2)c1
InChIKey: LAOMLYGDZXWXDC-UHFFFAOYSA-N
Molecular formula: C11H9N3
Average molar mass: 183.21 g/mol
Monoisotopic mass: 183.07964729

Names & identifiers

Preferred name: 2-(1H-Pyrrol-2-yl)-1H-benzimidazole
IUPAC: 2-(1H-pyrrol-2-yl)-1H-benzimidazole
English name: 1H-Benzimidazole,2-(1H-pyrrol-2-yl)-(9CI)
Molecular formula: C11H9N3
Molecular weight: 183.21

Names & synonyms

2-(1H-pyrrol-2-yl)-1H-benzimidazole3878-23-7RefChem:2499712-(1H-Pyrrol-2-yl)-1H-benzo[d]imidazole2-(2'-pyrrolyl)benzimidazole2-(pyrrol-2-yl)benzimidazoleSCHEMBL2048080CHEMBL2298016LAOMLYGDZXWXDC-UHFFFAOYSA-NDTXSID5012944991H-Benzimidazole,2-(1H-pyrrol-2-yl)-(9CI)

Database identifiers

CAS: 3878-23-7
PubChem CID: 639419
DTXSID: DTXSID501294499
ChEMBL: CHEMBL2298016
Nikkaji: J2.442.086H

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 268 · 268-270 °C(Solvent: Ethanol)
Boiling point: 459.429 · 459.429±37.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.321 · 1.321±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 11.811 · 11.811±0.10(predicted)

Chemistry & industry

Suppliers1 total

河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]

Related reactions

1 records

New reaction record

HRID 6431As productuspto-grants-1993_09

Compound notes

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