N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide

C27H21N3O2 — CID 71717004

IUPACN-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C27H21N3O2/c31-27(28-18-19-7-3-1-4-8-19)21-13-16-24-25(17-21)30-26(29-24)20-11-14-23(15-12-20)32-22-9-5-2-6-10-22/h1-17H,18H2,(H,28,31)(H,29,30)
InChIKeyMZTHUIKIAQADHQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.95
Rot. Bonds6

About N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide

N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 71717004) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID71717004
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC NameN-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C27H21N3O2/c31-27(28-18-19-7-3-1-4-8-19)21-13-16-24-25(17-21)30-26(29-24)20-11-14-23(15-12-20)32-22-9-5-2-6-10-22/h1-17H,18H2,(H,28,31)(H,29,30)
InChIKeyMZTHUIKIAQADHQ-UHFFFAOYSA-N
XLogP5.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
4-[[[2-(6-fluoro-3-pyridinyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 141342688
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
CID 58156060
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
CID 44534673
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide (CID 71717004) is N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide is O=C(NCc1ccccc1)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is MZTHUIKIAQADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c31-27(28-18-19-7-3-1-4-8-19)21-13-16-24-25(17-21)30-26(29-24)20-11-14-23(15-12-20)32-22-9-5-2-6-10-22/h1-17H,18H2,(H,28,31)(H,29,30).
What are the key properties of N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71717004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).