2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline

C21H19N3O — CID 118867936

IUPAC2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H19N3O/c1-25-17-12-10-16(11-13-17)14-22-18-6-2-4-8-20(18)24-15-23-19-7-3-5-9-21(19)24/h2-13,15,22H,14H2,1H3
InChIKeyMHQCYKVSBGZVGD-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.65
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline

2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 118867936) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID118867936
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H19N3O/c1-25-17-12-10-16(11-13-17)14-22-18-6-2-4-8-20(18)24-15-23-19-7-3-5-9-21(19)24/h2-13,15,22H,14H2,1H3
InChIKeyMHQCYKVSBGZVGD-UHFFFAOYSA-N
XLogP4.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
CID 163284683
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
CID 141496623
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 18375779
1-(2-ethylphenyl)benzimidazole
CID 22078308
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
4-[(1S)-1-(benzimidazol-1-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136891586
N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide
CID 118867964
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
CID 155587897

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline (CID 118867936) is 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccccc2-n2cnc3ccccc32)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is MHQCYKVSBGZVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-25-17-12-10-16(11-13-17)14-22-18-6-2-4-8-20(18)24-15-23-19-7-3-5-9-21(19)24/h2-13,15,22H,14H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline?
2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 329.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 118867936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).