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

C26H27N3O3 — CID 123949491

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(C)O)cc21
InChIInChI=1S/C26H27N3O3/c1-3-29-23-16-19(24(31)27-17-18(2)30)14-15-22(23)28-25(29)26(32,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,30,32H,3,17H2,1-2H3,(H,27,31)
InChIKeyKTPYOTKTDCLZHR-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.45
Rot. Bonds7

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

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide (PubChem CID 123949491) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide
PubChem CID123949491
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(C)O)cc21
InChIInChI=1S/C26H27N3O3/c1-3-29-23-16-19(24(31)27-17-18(2)30)14-15-22(23)28-25(29)26(32,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,30,32H,3,17H2,1-2H3,(H,27,31)
InChIKeyKTPYOTKTDCLZHR-UHFFFAOYSA-N
XLogP3.45
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide (CID 123949491) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(C)O)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide?
The InChIKey is KTPYOTKTDCLZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-29-23-16-19(24(31)27-17-18(2)30)14-15-22(23)28-25(29)26(32,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,30,32H,3,17H2,1-2H3,(H,27,31).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(2-hydroxypropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 123949491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).