2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide

C30H32N4O3 — CID 3202304

IUPAC2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide
SMILESCOc1ccc(N(C(=O)Cn2cnc3ccccc32)C(C(=O)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N4O3/c1-37-25-18-16-24(17-19-25)34(28(35)20-33-21-31-26-14-8-9-15-27(26)33)29(22-10-4-2-5-11-22)30(36)32-23-12-6-3-7-13-23/h2,4-5,8-11,14-19,21,23,29H,3,6-7,12-13,20H2,1H3,(H,32,36)
InChIKeyJHQDJFWUHGMJAW-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.27
Rot. Bonds8

About 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide

2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide (PubChem CID 3202304) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide
PubChem CID3202304
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide
SMILESCOc1ccc(N(C(=O)Cn2cnc3ccccc32)C(C(=O)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N4O3/c1-37-25-18-16-24(17-19-25)34(28(35)20-33-21-31-26-14-8-9-15-27(26)33)29(22-10-4-2-5-11-22)30(36)32-23-12-6-3-7-13-23/h2,4-5,8-11,14-19,21,23,29H,3,6-7,12-13,20H2,1H3,(H,32,36)
InChIKeyJHQDJFWUHGMJAW-UHFFFAOYSA-N
XLogP5.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide 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 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide?
The IUPAC name of 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide (CID 3202304) is 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide?
The canonical SMILES for 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide is COc1ccc(N(C(=O)Cn2cnc3ccccc32)C(C(=O)NC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide?
The InChIKey is JHQDJFWUHGMJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-37-25-18-16-24(17-19-25)34(28(35)20-33-21-31-26-14-8-9-15-27(26)33)29(22-10-4-2-5-11-22)30(36)32-23-12-6-3-7-13-23/h2,4-5,8-11,14-19,21,23,29H,3,6-7,12-13,20H2,1H3,(H,32,36).
What are the key properties of 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide?
2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide has a molecular weight of 496.61 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzimidazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 3202304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).