N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide

C30H27N3O3 — CID 126729843

IUPACN-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)c3cccc(OC)c3)cc21
InChIInChI=1S/C30H27N3O3/c1-3-33-27-20-24(31-28(34)21-11-10-16-25(19-21)36-2)17-18-26(27)32-29(33)30(35,22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-20,35H,3H2,1-2H3,(H,31,34)
InChIKeyUXUADHRSZNOOGT-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.60
Rot. Bonds7

About N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide

N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide (PubChem CID 126729843) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide
PubChem CID126729843
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC NameN-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)c3cccc(OC)c3)cc21
InChIInChI=1S/C30H27N3O3/c1-3-33-27-20-24(31-28(34)21-11-10-16-25(19-21)36-2)17-18-26(27)32-29(33)30(35,22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-20,35H,3H2,1-2H3,(H,31,34)
InChIKeyUXUADHRSZNOOGT-UHFFFAOYSA-N
XLogP5.60
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide 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 N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide (CID 126729843) is N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)c3cccc(OC)c3)cc21.
What is the InChIKey of N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide?
The InChIKey is UXUADHRSZNOOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-3-33-27-20-24(31-28(34)21-11-10-16-25(19-21)36-2)17-18-26(27)32-29(33)30(35,22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-20,35H,3H2,1-2H3,(H,31,34).
What are the key properties of N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide?
N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide has a molecular weight of 477.56 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 126729843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).