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

C30H27N3O2 — CID 126726349

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C30H27N3O2/c1-3-33-27-20-22(28(34)31-25-16-10-11-21(2)19-25)17-18-26(27)32-29(33)30(35,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-20,35H,3H2,1-2H3,(H,31,34)
InChIKeyBKIYZTJULNELFR-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.90
Rot. Bonds6

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

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 126726349) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide
PubChem CID126726349
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C30H27N3O2/c1-3-33-27-20-22(28(34)31-25-16-10-11-21(2)19-25)17-18-26(27)32-29(33)30(35,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-20,35H,3H2,1-2H3,(H,31,34)
InChIKeyBKIYZTJULNELFR-UHFFFAOYSA-N
XLogP5.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide (CID 126726349) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cccc(C)c3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is BKIYZTJULNELFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-3-33-27-20-22(28(34)31-25-16-10-11-21(2)19-25)17-18-26(27)32-29(33)30(35,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-20,35H,3H2,1-2H3,(H,31,34).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.90, 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-(3-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 126726349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).