1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea

C19H24N4O — CID 97453233

IUPAC1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
SMILESCc1nccn1-c1ccc(NC(=O)N[C@@H](C)C2=CCCCC2)cc1
InChIInChI=1S/C19H24N4O/c1-14(16-6-4-3-5-7-16)21-19(24)22-17-8-10-18(11-9-17)23-13-12-20-15(23)2/h6,8-14H,3-5,7H2,1-2H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyMTKJZVQTVIUYSO-AWEZNQCLSA-N
MW324.43 g/mol
LogP4.19
Rot. Bonds4

About 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea

1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea (PubChem CID 97453233) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
PubChem CID97453233
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
SMILESCc1nccn1-c1ccc(NC(=O)N[C@@H](C)C2=CCCCC2)cc1
InChIInChI=1S/C19H24N4O/c1-14(16-6-4-3-5-7-16)21-19(24)22-17-8-10-18(11-9-17)23-13-12-20-15(23)2/h6,8-14H,3-5,7H2,1-2H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyMTKJZVQTVIUYSO-AWEZNQCLSA-N
XLogP4.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 72912237
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 125166653
1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 118788492
1-[1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea
CID 72837183
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 71691428
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
CID 99717701
2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
CID 71857227
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897640

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea (CID 97453233) is 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea is Cc1nccn1-c1ccc(NC(=O)N[C@@H](C)C2=CCCCC2)cc1.
What is the InChIKey of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The InChIKey is MTKJZVQTVIUYSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(16-6-4-3-5-7-16)21-19(24)22-17-8-10-18(11-9-17)23-13-12-20-15(23)2/h6,8-14H,3-5,7H2,1-2H3,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea has a molecular weight of 324.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea is sourced from PubChem (CID 97453233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).