3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile

C18H17N3 — CID 39148040

IUPAC3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
SMILESCCCc1nc2ccccc2n1Cc1cccc(C#N)c1
InChIInChI=1S/C18H17N3/c1-2-6-18-20-16-9-3-4-10-17(16)21(18)13-15-8-5-7-14(11-15)12-19/h3-5,7-11H,2,6,13H2,1H3
InChIKeyNZDLRYLVAXZKSR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.91
Rot. Bonds4

About 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile

3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile (PubChem CID 39148040) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
PubChem CID39148040
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
SMILESCCCc1nc2ccccc2n1Cc1cccc(C#N)c1
InChIInChI=1S/C18H17N3/c1-2-6-18-20-16-9-3-4-10-17(16)21(18)13-15-8-5-7-14(11-15)12-19/h3-5,7-11H,2,6,13H2,1H3
InChIKeyNZDLRYLVAXZKSR-UHFFFAOYSA-N
XLogP3.91
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39157845
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
3-[[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]benzonitrile
CID 79273521
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 17017814
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile (CID 39148040) is 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile is CCCc1nc2ccccc2n1Cc1cccc(C#N)c1.
What is the InChIKey of 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile?
The InChIKey is NZDLRYLVAXZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-6-18-20-16-9-3-4-10-17(16)21(18)13-15-8-5-7-14(11-15)12-19/h3-5,7-11H,2,6,13H2,1H3.
What are the key properties of 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile?
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile has a molecular weight of 275.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 39148040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).