2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide

C21H17N3O2 — CID 11371309

IUPAC2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H17N3O2/c22-20(26)16-10-11-17-18(12-16)24-21(23-17)15-8-6-14(7-9-15)19(25)13-4-2-1-3-5-13/h1-12,19,25H,(H2,22,26)(H,23,24)
InChIKeyPKXDIOFCHGEDMH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.41
Rot. Bonds4

About 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11371309) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11371309
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H17N3O2/c22-20(26)16-10-11-17-18(12-16)24-21(23-17)15-8-6-14(7-9-15)19(25)13-4-2-1-3-5-13/h1-12,19,25H,(H2,22,26)(H,23,24)
InChIKeyPKXDIOFCHGEDMH-UHFFFAOYSA-N
XLogP3.41
TPSA92.00 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 ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11371309) is 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(O)c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PKXDIOFCHGEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-20(26)16-10-11-17-18(12-16)24-21(23-17)15-8-6-14(7-9-15)19(25)13-4-2-1-3-5-13/h1-12,19,25H,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11371309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).