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

C23H28N4O — CID 16964275

IUPACN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCC1CCCCC1)c1cccnc1
InChIInChI=1S/C23H28N4O/c28-23(19-9-6-14-24-17-19)25-15-12-22-26-20-10-4-5-11-21(20)27(22)16-13-18-7-2-1-3-8-18/h4-6,9-11,14,17-18H,1-3,7-8,12-13,15-16H2,(H,25,28)
InChIKeyXIRVARTZRPSNOE-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.37
Rot. Bonds7

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

N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16964275) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16964275
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCC1CCCCC1)c1cccnc1
InChIInChI=1S/C23H28N4O/c28-23(19-9-6-14-24-17-19)25-15-12-22-26-20-10-4-5-11-21(20)27(22)16-13-18-7-2-1-3-8-18/h4-6,9-11,14,17-18H,1-3,7-8,12-13,15-16H2,(H,25,28)
InChIKeyXIRVARTZRPSNOE-UHFFFAOYSA-N
XLogP4.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964378
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964375
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979922
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964361
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969
N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964272

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16964275) is N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is O=C(NCCc1nc2ccccc2n1CCC1CCCCC1)c1cccnc1.
What is the InChIKey of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is XIRVARTZRPSNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(19-9-6-14-24-17-19)25-15-12-22-26-20-10-4-5-11-21(20)27(22)16-13-18-7-2-1-3-8-18/h4-6,9-11,14,17-18H,1-3,7-8,12-13,15-16H2,(H,25,28).
What are the key properties of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).