3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide

Name: 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₉H₂₅N₃O₂ — CID 126726303

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide

SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccccc3)cc21

InChIInChI=1S/C29H25N3O2/c1-2-32-26-20-21(27(33)30-24-16-10-5-11-17-24)18-19-25(26)31-28(32)29(34,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-20,34H,2H2,1H3,(H,30,33)

InChIKeyBQHFWUGAEVRTMW-UHFFFAOYSA-N

MW447.54 g/mol

LogP5.59

Rot. Bonds6

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide (PubChem CID 126726303) has the molecular formula C₂₉H₂₅N₃O₂ and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name	3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide
PubChem CID	126726303
Molecular Formula	C₂₉H₂₅N₃O₂
Molecular Weight	447.54 g/mol
Exact Mass	447.19
IUPAC Name	3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide
SMILES	CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccccc3)cc21
InChI	InChI=1S/C29H25N3O2/c1-2-32-26-20-21(27(33)30-24-16-10-5-11-17-24)18-19-25(26)31-28(32)29(34,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-20,34H,2H2,1H3,(H,30,33)
InChIKey	BQHFWUGAEVRTMW-UHFFFAOYSA-N
XLogP	5.59
TPSA	67.15 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?

The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide (CID 126726303) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide.

What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?

The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccccc3)cc21.

What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?

The InChIKey is BQHFWUGAEVRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-2-32-26-20-21(27(33)30-24-16-10-5-11-17-24)18-19-25(26)31-28(32)29(34,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-20,34H,2H2,1H3,(H,30,33).

What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 126726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126726303 — identifiers, structure, computed properties (public domain)

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