2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile

C15H12N4O — CID 104714790

IUPAC2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1cccc(-n2c(N)nc3ccc(C#N)cc32)c1
InChIInChI=1S/C15H12N4O/c1-20-12-4-2-3-11(8-12)19-14-7-10(9-16)5-6-13(14)18-15(19)17/h2-8H,1H3,(H2,17,18)
InChIKeyDFUKAFHMBRBQSS-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.49
Rot. Bonds2

About 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile

2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile (PubChem CID 104714790) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
PubChem CID104714790
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1cccc(-n2c(N)nc3ccc(C#N)cc32)c1
InChIInChI=1S/C15H12N4O/c1-20-12-4-2-3-11(8-12)19-14-7-10(9-16)5-6-13(14)18-15(19)17/h2-8H,1H3,(H2,17,18)
InChIKeyDFUKAFHMBRBQSS-UHFFFAOYSA-N
XLogP2.49
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
CID 104714764
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
2-amino-3-[4-(cyanomethyl)phenyl]benzimidazole-5-carbonitrile
CID 104714998
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile (CID 104714790) is 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile is COc1cccc(-n2c(N)nc3ccc(C#N)cc32)c1.
What is the InChIKey of 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile?
The InChIKey is DFUKAFHMBRBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-12-4-2-3-11(8-12)19-14-7-10(9-16)5-6-13(14)18-15(19)17/h2-8H,1H3,(H2,17,18).
What are the key properties of 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile?
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).