N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide

C24H29N3O — CID 91170101

IUPACN-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESCCCc1nc2ccc(N(Cc3ccccc3)C(=O)C3CCCCC3)cc2[nH]1
InChIInChI=1S/C24H29N3O/c1-2-9-23-25-21-15-14-20(16-22(21)26-23)27(17-18-10-5-3-6-11-18)24(28)19-12-7-4-8-13-19/h3,5-6,10-11,14-16,19H,2,4,7-9,12-13,17H2,1H3,(H,25,26)
InChIKeyHGFYDTXFUHMWPU-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.63
Rot. Bonds6

About N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide

N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide (PubChem CID 91170101) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
PubChem CID91170101
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESCCCc1nc2ccc(N(Cc3ccccc3)C(=O)C3CCCCC3)cc2[nH]1
InChIInChI=1S/C24H29N3O/c1-2-9-23-25-21-15-14-20(16-22(21)26-23)27(17-18-10-5-3-6-11-18)24(28)19-12-7-4-8-13-19/h3,5-6,10-11,14-16,19H,2,4,7-9,12-13,17H2,1H3,(H,25,26)
InChIKeyHGFYDTXFUHMWPU-UHFFFAOYSA-N
XLogP5.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide 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-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide (CID 91170101) is N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide is CCCc1nc2ccc(N(Cc3ccccc3)C(=O)C3CCCCC3)cc2[nH]1.
What is the InChIKey of N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The InChIKey is HGFYDTXFUHMWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-9-23-25-21-15-14-20(16-22(21)26-23)27(17-18-10-5-3-6-11-18)24(28)19-12-7-4-8-13-19/h3,5-6,10-11,14-16,19H,2,4,7-9,12-13,17H2,1H3,(H,25,26).
What are the key properties of N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-propyl-3H-benzimidazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 91170101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).