(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone

C15H13N3O2 — CID 110468877

IUPAC(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2cnc3ccccc32)cc1N
InChIInChI=1S/C15H13N3O2/c1-20-14-7-6-10(8-11(14)16)15(19)18-9-17-12-4-2-3-5-13(12)18/h2-9H,16H2,1H3
InChIKeyXDNDOHLWARBBCM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds2

About (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone

(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone (PubChem CID 110468877) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone
PubChem CID110468877
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2cnc3ccccc32)cc1N
InChIInChI=1S/C15H13N3O2/c1-20-14-7-6-10(8-11(14)16)15(19)18-9-17-12-4-2-3-5-13(12)18/h2-9H,16H2,1H3
InChIKeyXDNDOHLWARBBCM-UHFFFAOYSA-N
XLogP2.32
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzimidazol-1-yl-(3,4-dimethylphenyl)methanone
CID 741948
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
benzimidazol-1-yl-(3-bromo-4-butoxyphenyl)methanone
CID 4955702
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84564209
(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
CID 82344378
benzimidazol-1-yl-[4-(16-methylheptadecoxy)phenyl]methanone
CID 70380679
2-(benzimidazol-1-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 43612589
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
bromomethyl benzimidazole-1-carboxylate
CID 135347541
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
ethyl 3-amino-4-(benzimidazol-1-yl)benzoate
CID 61311135

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone (CID 110468877) is (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone is COc1ccc(C(=O)n2cnc3ccccc32)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone?
The InChIKey is XDNDOHLWARBBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-7-6-10(8-11(14)16)15(19)18-9-17-12-4-2-3-5-13(12)18/h2-9H,16H2,1H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone?
(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone has a molecular weight of 267.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone is sourced from PubChem (CID 110468877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).