benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate

C23H28N4O2 — CID 71738387

IUPACbenzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate
SMILESCN(C)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-27(2)21-14-19-18(24-22(25-19)17-11-7-4-8-12-17)13-20(21)26-23(28)29-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyNQXYEULAQJUXAW-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.43
Rot. Bonds5

About benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate

benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate (PubChem CID 71738387) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate
PubChem CID71738387
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Namebenzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate
SMILESCN(C)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-27(2)21-14-19-18(24-22(25-19)17-11-7-4-8-12-17)13-20(21)26-23(28)29-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyNQXYEULAQJUXAW-UHFFFAOYSA-N
XLogP5.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate 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 benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate?
The IUPAC name of benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate (CID 71738387) is benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate.
What is the SMILES notation for benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate?
The canonical SMILES for benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate is CN(C)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate?
The InChIKey is NQXYEULAQJUXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-27(2)21-14-19-18(24-22(25-19)17-11-7-4-8-12-17)13-20(21)26-23(28)29-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate?
benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate has a molecular weight of 392.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]carbamate is sourced from PubChem (CID 71738387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).