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

C15H12N4O — CID 104714757

IUPAC2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1ccccc1-n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H12N4O/c1-20-14-5-3-2-4-12(14)19-13-8-10(9-16)6-7-11(13)18-15(19)17/h2-8H,1H3,(H2,17,18)
InChIKeyMTHHWZNIXBBFOT-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.49
Rot. Bonds2

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

2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile (PubChem CID 104714757) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
PubChem CID104714757
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1ccccc1-n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H12N4O/c1-20-14-5-3-2-4-12(14)19-13-8-10(9-16)6-7-11(13)18-15(19)17/h2-8H,1H3,(H2,17,18)
InChIKeyMTHHWZNIXBBFOT-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

Analyze 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
2-(chloromethyl)-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104715332
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104849631
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
3-(2-aminobenzimidazol-1-yl)-4-methylbenzonitrile
CID 62104310
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile (CID 104714757) is 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile is COc1ccccc1-n1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile?
The InChIKey is MTHHWZNIXBBFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-14-5-3-2-4-12(14)19-13-8-10(9-16)6-7-11(13)18-15(19)17/h2-8H,1H3,(H2,17,18).
What are the key properties of 2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile?
2-amino-3-(2-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-(2-methoxyphenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).