N-(1H-benzimidazol-2-yl)-4-methoxybenzamide

C30H26N6O4 — CID 139070235

IUPACN-(1H-benzimidazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C15H13N3O2/c2*1-20-11-8-6-10(7-9-11)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2*2-9H,1H3,(H2,16,17,18,19)
InChIKeyHBYJCTVJAUBMCS-UHFFFAOYSA-N
MW534.58 g/mol
LogP5.65
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-4-methoxybenzamide

N-(1H-benzimidazol-2-yl)-4-methoxybenzamide (PubChem CID 139070235) has the molecular formula C30H26N6O4 and a molecular weight of 534.58 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-methoxybenzamide
PubChem CID139070235
Molecular FormulaC30H26N6O4
Molecular Weight534.58 g/mol
Exact Mass534.20
IUPAC NameN-(1H-benzimidazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C15H13N3O2/c2*1-20-11-8-6-10(7-9-11)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2*2-9H,1H3,(H2,16,17,18,19)
InChIKeyHBYJCTVJAUBMCS-UHFFFAOYSA-N
XLogP5.65
TPSA134.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.58
LogP ≤ 55.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
Benzimidazole-urea, 47
CID 17755232
N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-(1H-benzimidazol-2-yl)-1-benzofuran-2-carboxamide
CID 2583514
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
4-(1H-Benzimidazol-2-ylmethoxy)benzohydrazide
CID 335810
N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide
CID 2127514
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)benzamide
CID 2583265

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-methoxybenzamide (CID 139070235) is N-(1H-benzimidazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
The InChIKey is HBYJCTVJAUBMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13N3O2/c2*1-20-11-8-6-10(7-9-11)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2*2-9H,1H3,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
N-(1H-benzimidazol-2-yl)-4-methoxybenzamide has a molecular weight of 534.58 g/mol, XLogP of 5.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 139070235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).