5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide

C27H36N6O2 — CID 24827149

IUPAC5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1CCN(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C27H36N6O2/c1-19-8-10-33(11-9-19)25-16-21(20-2-5-23(6-3-20)32-12-14-35-15-13-32)4-7-24(25)31-27(34)26-29-18-22(17-28)30-26/h4,7,16,18-20,23H,2-3,5-6,8-15H2,1H3,(H,29,30)(H,31,34)
InChIKeyUSZBHQRBUBMETG-UHFFFAOYSA-N
MW476.63 g/mol
LogP4.13
Rot. Bonds5

About 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24827149) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24827149
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1CCN(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C27H36N6O2/c1-19-8-10-33(11-9-19)25-16-21(20-2-5-23(6-3-20)32-12-14-35-15-13-32)4-7-24(25)31-27(34)26-29-18-22(17-28)30-26/h4,7,16,18-20,23H,2-3,5-6,8-15H2,1H3,(H,29,30)(H,31,34)
InChIKeyUSZBHQRBUBMETG-UHFFFAOYSA-N
XLogP4.13
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164560
N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 91929934
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(3-morpholin-4-ylpropanoyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11692059
4-cyano-N-[2-(4-methylpiperidin-1-yl)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-1H-pyrrole-2-carboxamide
CID 11648537
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11634981
5-cyano-N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide
CID 24785129
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-imidazole-2-carboxamide;hydrochloride
CID 24875221
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane
CID 143447681
5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11705169
N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 158417677
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24785380
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 109275329

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide (CID 24827149) is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide is CC1CCN(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is USZBHQRBUBMETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-19-8-10-33(11-9-19)25-16-21(20-2-5-23(6-3-20)32-12-14-35-15-13-32)4-7-24(25)31-27(34)26-29-18-22(17-28)30-26/h4,7,16,18-20,23H,2-3,5-6,8-15H2,1H3,(H,29,30)(H,31,34).
What are the key properties of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24827149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).