N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide

C31H35N5O3 — CID 155348727

IUPACN-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2C2CCCCC2)ccn1
InChIInChI=1S/C31H35N5O3/c1-38-29-10-6-5-9-25(29)26-20-23(13-14-32-26)30(37)34-31-33-27-19-22(21-35-15-17-39-18-16-35)11-12-28(27)36(31)24-7-3-2-4-8-24/h5-6,9-14,19-20,24H,2-4,7-8,15-18,21H2,1H3,(H,33,34,37)
InChIKeyUONQDYJFAIJBDF-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.70
Rot. Bonds7

About N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide

N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 155348727) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID155348727
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2C2CCCCC2)ccn1
InChIInChI=1S/C31H35N5O3/c1-38-29-10-6-5-9-25(29)26-20-23(13-14-32-26)30(37)34-31-33-27-19-22(21-35-15-17-39-18-16-35)11-12-28(27)36(31)24-7-3-2-4-8-24/h5-6,9-14,19-20,24H,2-4,7-8,15-18,21H2,1H3,(H,33,34,37)
InChIKeyUONQDYJFAIJBDF-UHFFFAOYSA-N
XLogP5.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide 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-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447719
N-[1-(4-hydroxycyclohexyl)-5-methylbenzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447595
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139447737
N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155348736
3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600976
N-[5-(1-acetylpiperidin-3-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447643
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447834
N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090
ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 138657003
2-(1,5-dimethylpyrazol-4-yl)-3-fluoro-N-[1-(4-hydroxycyclohexyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 166926665
4-fluoro-N-[1-[4-(1-hydroxypropan-2-ylcarbamoyl)cyclohexyl]-6-(morpholin-4-ylmethyl)benzimidazol-2-yl]benzamide
CID 66728897
N-[1-cyclohexyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide
CID 126720068

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (CID 155348727) is N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2C2CCCCC2)ccn1.
What is the InChIKey of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is UONQDYJFAIJBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-38-29-10-6-5-9-25(29)26-20-23(13-14-32-26)30(37)34-31-33-27-19-22(21-35-15-17-39-18-16-35)11-12-28(27)36(31)24-7-3-2-4-8-24/h5-6,9-14,19-20,24H,2-4,7-8,15-18,21H2,1H3,(H,33,34,37).
What are the key properties of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 155348727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).