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

C27H38N6O2 — CID 71164560

IUPAC5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CCN(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)C2=NCC(C#N)N2)CC1
InChIInChI=1S/C27H38N6O2/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/h4,7,16,19-20,22-23H,2-3,5-6,8-15,18H2,1H3,(H,29,30)(H,31,34)
InChIKeyBGIGNJXOROIRON-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.11
Rot. Bonds5

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

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 71164560) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID71164560
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CCN(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)C2=NCC(C#N)N2)CC1
InChIInChI=1S/C27H38N6O2/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/h4,7,16,19-20,22-23H,2-3,5-6,8-15,18H2,1H3,(H,29,30)(H,31,34)
InChIKeyBGIGNJXOROIRON-UHFFFAOYSA-N
XLogP3.11
TPSA92.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
CID 24827149
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 89298027
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-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]furan-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 11714689
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 109275329
N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-iodophenyl)-5-methylpyrazole-4-carboxamide
CID 22227924
4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide
CID 118601013
2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide
CID 89250927
4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-3H-pyrrole-2-carboxamide
CID 24883278
2-methoxy-4-[2-[2-methoxy-5-(4-morpholin-4-ylcyclohexyl)anilino]pyrimidin-5-yl]benzonitrile
CID 166882340
N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide
CID 24784640
4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394848

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 71164560) is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CC1CCN(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)C2=NCC(C#N)N2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is BGIGNJXOROIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/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/h4,7,16,19-20,22-23H,2-3,5-6,8-15,18H2,1H3,(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]-4,5-dihydro-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71164560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).