N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide

C24H30N4O — CID 16966057

IUPACN-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CCC1CCCCC1)c1ccncc1
InChIInChI=1S/C24H30N4O/c29-24(20-12-16-25-17-13-20)26-15-6-11-23-27-21-9-4-5-10-22(21)28(23)18-14-19-7-2-1-3-8-19/h4-5,9-10,12-13,16-17,19H,1-3,6-8,11,14-15,18H2,(H,26,29)
InChIKeyUCDIREJVTKVVOA-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.76
Rot. Bonds8

About N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide

N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide (PubChem CID 16966057) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
PubChem CID16966057
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CCC1CCCCC1)c1ccncc1
InChIInChI=1S/C24H30N4O/c29-24(20-12-16-25-17-13-20)26-15-6-11-23-27-21-9-4-5-10-22(21)28(23)18-14-19-7-2-1-3-8-19/h4-5,9-10,12-13,16-17,19H,1-3,6-8,11,14-15,18H2,(H,26,29)
InChIKeyUCDIREJVTKVVOA-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964275
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988504
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990124
N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966158
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966070
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979922
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966543

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide (CID 16966057) is N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide is O=C(NCCCc1nc2ccccc2n1CCC1CCCCC1)c1ccncc1.
What is the InChIKey of N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
The InChIKey is UCDIREJVTKVVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c29-24(20-12-16-25-17-13-20)26-15-6-11-23-27-21-9-4-5-10-22(21)28(23)18-14-19-7-2-1-3-8-19/h4-5,9-10,12-13,16-17,19H,1-3,6-8,11,14-15,18H2,(H,26,29).
What are the key properties of N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 16966057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).