2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile

C16H14N4O — CID 104718630

IUPAC2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
SMILESCOc1ccccc1Cn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C16H14N4O/c1-21-14-8-3-2-5-12(14)10-20-13-7-4-6-11(9-17)15(13)19-16(20)18/h2-8H,10H2,1H3,(H2,18,19)
InChIKeySWMYZKQLPOTVJV-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.55
Rot. Bonds3

About 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile

2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile (PubChem CID 104718630) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
PubChem CID104718630
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
SMILESCOc1ccccc1Cn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C16H14N4O/c1-21-14-8-3-2-5-12(14)10-20-13-7-4-6-11(9-17)15(13)19-16(20)18/h2-8H,10H2,1H3,(H2,18,19)
InChIKeySWMYZKQLPOTVJV-UHFFFAOYSA-N
XLogP2.55
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720782
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701193
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923
5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
CID 104718908
3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 106261885

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile (CID 104718630) is 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile is COc1ccccc1Cn1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile?
The InChIKey is SWMYZKQLPOTVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-21-14-8-3-2-5-12(14)10-20-13-7-4-6-11(9-17)15(13)19-16(20)18/h2-8H,10H2,1H3,(H2,18,19).
What are the key properties of 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile?
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).