N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide

C24H34N4O2 — CID 142160922

IUPACN-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide
SMILESCN(CCC1=CCC2NC(=O)N(C(=O)NCC3=CC=CCC3)C2=C1)C1CCCCC1
InChIInChI=1S/C24H34N4O2/c1-27(20-10-6-3-7-11-20)15-14-18-12-13-21-22(16-18)28(24(30)26-21)23(29)25-17-19-8-4-2-5-9-19/h2,4,8,12,16,20-21H,3,5-7,9-11,13-15,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyONLCHRKEVIDCHQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.23
Rot. Bonds6

About N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide

N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide (PubChem CID 142160922) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide
PubChem CID142160922
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide
SMILESCN(CCC1=CCC2NC(=O)N(C(=O)NCC3=CC=CCC3)C2=C1)C1CCCCC1
InChIInChI=1S/C24H34N4O2/c1-27(20-10-6-3-7-11-20)15-14-18-12-13-21-22(16-18)28(24(30)26-21)23(29)25-17-19-8-4-2-5-9-19/h2,4,8,12,16,20-21H,3,5-7,9-11,13-15,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyONLCHRKEVIDCHQ-UHFFFAOYSA-N
XLogP4.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide 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-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide?
The IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide (CID 142160922) is N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide?
The canonical SMILES for N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide is CN(CCC1=CCC2NC(=O)N(C(=O)NCC3=CC=CCC3)C2=C1)C1CCCCC1.
What is the InChIKey of N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide?
The InChIKey is ONLCHRKEVIDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-27(20-10-6-3-7-11-20)15-14-18-12-13-21-22(16-18)28(24(30)26-21)23(29)25-17-19-8-4-2-5-9-19/h2,4,8,12,16,20-21H,3,5-7,9-11,13-15,17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide?
N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 142160922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).