N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine

C17H19N3O — CID 171329079

IUPACN-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine
SMILESCOc1cccc(CN(C)c2nc3ccccc3n2C)c1
InChIInChI=1S/C17H19N3O/c1-19(12-13-7-6-8-14(11-13)21-3)17-18-15-9-4-5-10-16(15)20(17)2/h4-11H,12H2,1-3H3
InChIKeyLWFPBMIAEVZTEI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.22
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine

N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine (PubChem CID 171329079) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine
PubChem CID171329079
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine
SMILESCOc1cccc(CN(C)c2nc3ccccc3n2C)c1
InChIInChI=1S/C17H19N3O/c1-19(12-13-7-6-8-14(11-13)21-3)17-18-15-9-4-5-10-16(15)20(17)2/h4-11H,12H2,1-3H3
InChIKeyLWFPBMIAEVZTEI-UHFFFAOYSA-N
XLogP3.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
3-[(3-methoxyphenyl)methyl-methylamino]-4-propyl-1H-1,2,4-triazole-5-thione
CID 61418075
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-methylbenzimidazole-2-thione
CID 29429707
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 6603193

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine (CID 171329079) is N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine is COc1cccc(CN(C)c2nc3ccccc3n2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine?
The InChIKey is LWFPBMIAEVZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(12-13-7-6-8-14(11-13)21-3)17-18-15-9-4-5-10-16(15)20(17)2/h4-11H,12H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine?
N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 171329079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).