2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile

C17H16N4 — CID 106754381

IUPAC2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(-c2ccnc(C)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C17H16N4/c1-3-8-21-16-5-4-13(11-18)10-15(16)20-17(21)14-6-7-19-12(2)9-14/h4-7,9-10H,3,8H2,1-2H3
InChIKeyCEBWZXSCWZANTQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile

2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile (PubChem CID 106754381) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile
PubChem CID106754381
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(-c2ccnc(C)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C17H16N4/c1-3-8-21-16-5-4-13(11-18)10-15(16)20-17(21)14-6-7-19-12(2)9-14/h4-7,9-10H,3,8H2,1-2H3
InChIKeyCEBWZXSCWZANTQ-UHFFFAOYSA-N
XLogP3.69
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-(3-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040309
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
CID 65040636
2-(2-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040443
2-(5-cyano-1-propylbenzimidazol-2-yl)benzoic acid
CID 4915316
2-(3,5-difluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040108
2-[(1S)-1-hydroxyethyl]-1-propylbenzimidazole-5-carbonitrile
CID 66263869
1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
CID 102922935
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040254

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile (CID 106754381) is 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile is CCCn1c(-c2ccnc(C)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile?
The InChIKey is CEBWZXSCWZANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-3-8-21-16-5-4-13(11-18)10-15(16)20-17(21)14-6-7-19-12(2)9-14/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile?
2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 106754381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).