5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide

C23H27N5O — CID 11555179

IUPAC5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
SMILESCC1CC=C(c2cc(C3CCNCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C23H27N5O/c1-15-2-4-17(5-3-15)20-12-18(16-8-10-25-11-9-16)6-7-21(20)28-23(29)22-26-14-19(13-24)27-22/h4,6-7,12,14-16,25H,2-3,5,8-11H2,1H3,(H,26,27)(H,28,29)
InChIKeyNRRNXHWXRHOSFE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.20
Rot. Bonds4

About 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide (PubChem CID 11555179) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
PubChem CID11555179
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
SMILESCC1CC=C(c2cc(C3CCNCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C23H27N5O/c1-15-2-4-17(5-3-15)20-12-18(16-8-10-25-11-9-16)6-7-21(20)28-23(29)22-26-14-19(13-24)27-22/h4,6-7,12,14-16,25H,2-3,5,8-11H2,1H3,(H,26,27)(H,28,29)
InChIKeyNRRNXHWXRHOSFE-UHFFFAOYSA-N
XLogP4.20
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide (CID 11555179) is 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide is CC1CC=C(c2cc(C3CCNCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The InChIKey is NRRNXHWXRHOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15-2-4-17(5-3-15)20-12-18(16-8-10-25-11-9-16)6-7-21(20)28-23(29)22-26-14-19(13-24)27-22/h4,6-7,12,14-16,25H,2-3,5,8-11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11555179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).