1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine

C17H19N3O — CID 107853170

IUPAC1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
SMILESCOc1cccc(CCn2c(N)nc3ccc(C)cc32)c1
InChIInChI=1S/C17H19N3O/c1-12-6-7-15-16(10-12)20(17(18)19-15)9-8-13-4-3-5-14(11-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19)
InChIKeyMXAXZLTWKFRNIA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine

1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine (PubChem CID 107853170) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
PubChem CID107853170
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
SMILESCOc1cccc(CCn2c(N)nc3ccc(C)cc32)c1
InChIInChI=1S/C17H19N3O/c1-12-6-7-15-16(10-12)20(17(18)19-15)9-8-13-4-3-5-14(11-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19)
InChIKeyMXAXZLTWKFRNIA-UHFFFAOYSA-N
XLogP3.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43662152
6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
CID 106035989
1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine
CID 103293052
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763122
6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66101378
3-[2-amino-1-[(3-methoxyphenyl)methyl]benzimidazol-5-yl]propanoic acid
CID 11221058
3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79279800
3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79290080
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine (CID 107853170) is 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine is COc1cccc(CCn2c(N)nc3ccc(C)cc32)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine?
The InChIKey is MXAXZLTWKFRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-7-15-16(10-12)20(17(18)19-15)9-8-13-4-3-5-14(11-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine?
1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 107853170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).