N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine

C18H21N3O2 — CID 628339

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
SMILESCOc1cccc(CNc2ccc3c(c2)nc(C)n3C)c1OC
InChIInChI=1S/C18H21N3O2/c1-12-20-15-10-14(8-9-16(15)21(12)2)19-11-13-6-5-7-17(22-3)18(13)23-4/h5-10,19H,11H2,1-4H3
InChIKeyABPPZBWHTXZLOV-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.51
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine

N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine (PubChem CID 628339) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
PubChem CID628339
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
SMILESCOc1cccc(CNc2ccc3c(c2)nc(C)n3C)c1OC
InChIInChI=1S/C18H21N3O2/c1-12-20-15-10-14(8-9-16(15)21(12)2)19-11-13-6-5-7-17(22-3)18(13)23-4/h5-10,19H,11H2,1-4H3
InChIKeyABPPZBWHTXZLOV-UHFFFAOYSA-N
XLogP3.51
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
N-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058261
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
CID 59372972

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine (CID 628339) is N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine is COc1cccc(CNc2ccc3c(c2)nc(C)n3C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The InChIKey is ABPPZBWHTXZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-20-15-10-14(8-9-16(15)21(12)2)19-11-13-6-5-7-17(22-3)18(13)23-4/h5-10,19H,11H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine has a molecular weight of 311.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine is sourced from PubChem (CID 628339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).