N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide

C24H37N3O — CID 16988953

IUPACN-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
SMILESCC(C)CCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-19(2)16-18-27-22-14-9-8-13-21(22)26-23(27)15-7-4-10-17-25-24(28)20-11-5-3-6-12-20/h8-9,13-14,19-20H,3-7,10-12,15-18H2,1-2H3,(H,25,28)
InChIKeyDZZJMQIQERWQNF-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.49
Rot. Bonds10

About N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide

N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide (PubChem CID 16988953) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
PubChem CID16988953
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
SMILESCC(C)CCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-19(2)16-18-27-22-14-9-8-13-21(22)26-23(27)15-7-4-10-17-25-24(28)20-11-5-3-6-12-20/h8-9,13-14,19-20H,3-7,10-12,15-18H2,1-2H3,(H,25,28)
InChIKeyDZZJMQIQERWQNF-UHFFFAOYSA-N
XLogP5.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988950
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[5-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989070
N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988970
propan-2-yl 2-[2-[3-(cyclohexanecarbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16981598
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide (CID 16988953) is N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide is CC(C)CCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
The InChIKey is DZZJMQIQERWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-19(2)16-18-27-22-14-9-8-13-21(22)26-23(27)15-7-4-10-17-25-24(28)20-11-5-3-6-12-20/h8-9,13-14,19-20H,3-7,10-12,15-18H2,1-2H3,(H,25,28).
What are the key properties of N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide has a molecular weight of 383.58 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide is sourced from PubChem (CID 16988953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).