2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile

C16H13ClN4 — CID 66472898

IUPAC2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(-c2ccncc2Cl)nc2cc(C#N)ccc21
InChIInChI=1S/C16H13ClN4/c1-10(2)21-15-4-3-11(8-18)7-14(15)20-16(21)12-5-6-19-9-13(12)17/h3-7,9-10H,1-2H3
InChIKeyWUZXRUCXVXKJJM-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.20
Rot. Bonds2

About 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile

2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile (PubChem CID 66472898) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile
PubChem CID66472898
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(-c2ccncc2Cl)nc2cc(C#N)ccc21
InChIInChI=1S/C16H13ClN4/c1-10(2)21-15-4-3-11(8-18)7-14(15)20-16(21)12-5-6-19-9-13(12)17/h3-7,9-10H,1-2H3
InChIKeyWUZXRUCXVXKJJM-UHFFFAOYSA-N
XLogP4.20
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 66473098
2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040549
2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040215
2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040408
2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040362
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040081
2-(2-methylthiolan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 81452262
2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040645
2-(2-cyclopentylethyl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040168
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-hexyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 114754151

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile (CID 66472898) is 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile is CC(C)n1c(-c2ccncc2Cl)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is WUZXRUCXVXKJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c1-10(2)21-15-4-3-11(8-18)7-14(15)20-16(21)12-5-6-19-9-13(12)17/h3-7,9-10H,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 296.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 66472898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).