3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine

C15H15N3O — CID 18379860

IUPAC3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
SMILESCOc1cccc(Cn2cnc3ccc(N)cc32)c1
InChIInChI=1S/C15H15N3O/c1-19-13-4-2-3-11(7-13)9-18-10-17-14-6-5-12(16)8-15(14)18/h2-8,10H,9,16H2,1H3
InChIKeyNRNFUVRFVUYLDK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.68
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine

3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine (PubChem CID 18379860) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
PubChem CID18379860
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
SMILESCOc1cccc(Cn2cnc3ccc(N)cc32)c1
InChIInChI=1S/C15H15N3O/c1-19-13-4-2-3-11(7-13)9-18-10-17-14-6-5-12(16)8-15(14)18/h2-8,10H,9,16H2,1H3
InChIKeyNRNFUVRFVUYLDK-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-methoxybenzimidazole
CID 10900689
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051
6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole
CID 138535081
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
2-(3-aminophenyl)-7-[(3-methoxyphenyl)methyl]-1H-purin-6-one
CID 135708910
3-propylbenzimidazol-5-amine
CID 18379870
1-[(2,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 63362760
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
CID 142063366
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102232676
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine (CID 18379860) is 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine is COc1cccc(Cn2cnc3ccc(N)cc32)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine?
The InChIKey is NRNFUVRFVUYLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-13-4-2-3-11(7-13)9-18-10-17-14-6-5-12(16)8-15(14)18/h2-8,10H,9,16H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine?
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 18379860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).