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

C19H20N4O2 — CID 24759285

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CCO)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C19H20N4O2/c20-11-15-12-21-18(22-15)19(25)23-17-7-6-13(8-9-24)10-16(17)14-4-2-1-3-5-14/h4,6-7,10,12,24H,1-3,5,8-9H2,(H,21,22)(H,23,25)
InChIKeyTUFVFYQJYMMHMV-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.03
Rot. Bonds5

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24759285) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24759285
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CCO)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C19H20N4O2/c20-11-15-12-21-18(22-15)19(25)23-17-7-6-13(8-9-24)10-16(17)14-4-2-1-3-5-14/h4,6-7,10,12,24H,1-3,5,8-9H2,(H,21,22)(H,23,25)
InChIKeyTUFVFYQJYMMHMV-UHFFFAOYSA-N
XLogP3.03
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.03
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-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide (CID 24759285) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(CCO)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is TUFVFYQJYMMHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-11-15-12-21-18(22-15)19(25)23-17-7-6-13(8-9-24)10-16(17)14-4-2-1-3-5-14/h4,6-7,10,12,24H,1-3,5,8-9H2,(H,21,22)(H,23,25).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).