N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide

C21H17N3O2 — CID 10382823

IUPACN-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C21H17N3O2/c25-17-12-11-16(21(26)22-13-14-7-3-1-4-8-14)18-19(17)24-20(23-18)15-9-5-2-6-10-15/h1-12,25H,13H2,(H,22,26)(H,23,24)
InChIKeyNLZKEHSPVSNZOO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.87
Rot. Bonds4

About N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide

N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 10382823) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID10382823
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C21H17N3O2/c25-17-12-11-16(21(26)22-13-14-7-3-1-4-8-14)18-19(17)24-20(23-18)15-9-5-2-6-10-15/h1-12,25H,13H2,(H,22,26)(H,23,24)
InChIKeyNLZKEHSPVSNZOO-UHFFFAOYSA-N
XLogP3.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide (CID 10382823) is N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide is O=C(NCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12.
What is the InChIKey of N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is NLZKEHSPVSNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-17-12-11-16(21(26)22-13-14-7-3-1-4-8-14)18-19(17)24-20(23-18)15-9-5-2-6-10-15/h1-12,25H,13H2,(H,22,26)(H,23,24).
What are the key properties of N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10382823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).