5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide

C20H22N4O3 — CID 24874801

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C20H22N4O3/c21-9-16-10-22-19(23-16)20(27)24-18-7-6-14(15(11-25)12-26)8-17(18)13-4-2-1-3-5-13/h4,6-8,10,15,25-26H,1-3,5,11-12H2,(H,22,23)(H,24,27)
InChIKeyZZFUUCRODFONKT-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.56
Rot. Bonds6

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24874801) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24874801
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C20H22N4O3/c21-9-16-10-22-19(23-16)20(27)24-18-7-6-14(15(11-25)12-26)8-17(18)13-4-2-1-3-5-13/h4,6-8,10,15,25-26H,1-3,5,11-12H2,(H,22,23)(H,24,27)
InChIKeyZZFUUCRODFONKT-UHFFFAOYSA-N
XLogP2.56
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24874801) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is ZZFUUCRODFONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-9-16-10-22-19(23-16)20(27)24-18-7-6-14(15(11-25)12-26)8-17(18)13-4-2-1-3-5-13/h4,6-8,10,15,25-26H,1-3,5,11-12H2,(H,22,23)(H,24,27).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24874801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).