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

C17H19N3O2 — CID 937758

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(OC)c(CNc2nc3ccccc3n2C)c1
InChIInChI=1S/C17H19N3O2/c1-20-15-7-5-4-6-14(15)19-17(20)18-11-12-10-13(21-2)8-9-16(12)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyUQGINRZAFZEZQA-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.20
Rot. Bonds5

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

N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 937758) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID937758
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(OC)c(CNc2nc3ccccc3n2C)c1
InChIInChI=1S/C17H19N3O2/c1-20-15-7-5-4-6-14(15)19-17(20)18-11-12-10-13(21-2)8-9-16(12)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyUQGINRZAFZEZQA-UHFFFAOYSA-N
XLogP3.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 7342830
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine
CID 5146346
1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-6-(2-methylphenyl)imidazo[4,5-c]pyridin-2-amine
CID 155554596
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 3356531
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
CID 103868375
2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 69221521
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379362
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (CID 937758) is N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is COc1ccc(OC)c(CNc2nc3ccccc3n2C)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is UQGINRZAFZEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20-15-7-5-4-6-14(15)19-17(20)18-11-12-10-13(21-2)8-9-16(12)22-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 937758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).