4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile

C16H14N4 — CID 115552449

IUPAC4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
SMILESCc1cccc2nc(N)n(Cc3ccc(C#N)cc3)c12
InChIInChI=1S/C16H14N4/c1-11-3-2-4-14-15(11)20(16(18)19-14)10-13-7-5-12(9-17)6-8-13/h2-8H,10H2,1H3,(H2,18,19)
InChIKeyCXWFAKHZMQKKLS-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.85
Rot. Bonds2

About 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile

4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile (PubChem CID 115552449) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
PubChem CID115552449
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
SMILESCc1cccc2nc(N)n(Cc3ccc(C#N)cc3)c12
InChIInChI=1S/C16H14N4/c1-11-3-2-4-14-15(11)20(16(18)19-14)10-13-7-5-12(9-17)6-8-13/h2-8H,10H2,1H3,(H2,18,19)
InChIKeyCXWFAKHZMQKKLS-UHFFFAOYSA-N
XLogP2.85
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile
CID 62267212
4-[[2-(chloromethyl)-7-methylbenzimidazol-1-yl]methyl]benzonitrile
CID 115553385
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552468

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile (CID 115552449) is 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile is Cc1cccc2nc(N)n(Cc3ccc(C#N)cc3)c12.
What is the InChIKey of 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile?
The InChIKey is CXWFAKHZMQKKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-3-2-4-14-15(11)20(16(18)19-14)10-13-7-5-12(9-17)6-8-13/h2-8H,10H2,1H3,(H2,18,19).
What are the key properties of 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile?
4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile has a molecular weight of 262.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 115552449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).