N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide

C23H35N3O — CID 18888908

IUPACN-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
SMILESCCCCCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C23H35N3O/c1-2-3-4-10-18-26-21-15-9-8-14-20(21)25-22(26)16-11-17-24-23(27)19-12-6-5-7-13-19/h8-9,14-15,19H,2-7,10-13,16-18H2,1H3,(H,24,27)
InChIKeyJVDPBZLFRIROMP-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.25
Rot. Bonds10

About N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide

N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide (PubChem CID 18888908) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
PubChem CID18888908
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
SMILESCCCCCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C23H35N3O/c1-2-3-4-10-18-26-21-15-9-8-14-20(21)25-22(26)16-11-17-24-23(27)19-12-6-5-7-13-19/h8-9,14-15,19H,2-7,10-13,16-18H2,1H3,(H,24,27)
InChIKeyJVDPBZLFRIROMP-UHFFFAOYSA-N
XLogP5.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(1-hexylbenzimidazol-2-yl)propyl]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-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981549
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide (CID 18888908) is N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide is CCCCCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide?
The InChIKey is JVDPBZLFRIROMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-2-3-4-10-18-26-21-15-9-8-14-20(21)25-22(26)16-11-17-24-23(27)19-12-6-5-7-13-19/h8-9,14-15,19H,2-7,10-13,16-18H2,1H3,(H,24,27).
What are the key properties of N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide?
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide has a molecular weight of 369.55 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 18888908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).