2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide

C15H13N3O2 — CID 10423087

IUPAC2-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChIInChI=1S/C15H13N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyMKRGNKRNZLHINT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide

2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide (PubChem CID 10423087) has the molecular formula C15H13N3O2 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
PubChem CID10423087
Molecular FormulaC15H13N3O2
Molecular Weight267.28 g/mol
Exact Mass267.10
IUPAC Name2-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChIInChI=1S/C15H13N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyMKRGNKRNZLHINT-UHFFFAOYSA-N
XLogP2.00
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity355

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide (CID 10423087) is 2-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide is COC1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)N.
What is the InChIKey of 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide?
The InChIKey is MKRGNKRNZLHINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide?
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide is sourced from PubChem (CID 10423087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).