4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

C21H29N5O — CID 91525605

IUPAC4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC2CCCCC2)c(C2=CC=CCC2)n1CCCn1ccnc1
InChIInChI=1S/C21H29N5O/c27-21-24-20(23-18-10-5-2-6-11-18)19(17-8-3-1-4-9-17)26(21)14-7-13-25-15-12-22-16-25/h1,3,8,12,15-16,18,23H,2,4-7,9-11,13-14H2,(H,24,27)
InChIKeyGTSRQXAJOUJPHY-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.94
Rot. Bonds7

About 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (PubChem CID 91525605) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
PubChem CID91525605
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC2CCCCC2)c(C2=CC=CCC2)n1CCCn1ccnc1
InChIInChI=1S/C21H29N5O/c27-21-24-20(23-18-10-5-2-6-11-18)19(17-8-3-1-4-9-17)26(21)14-7-13-25-15-12-22-16-25/h1,3,8,12,15-16,18,23H,2,4-7,9-11,13-14H2,(H,24,27)
InChIKeyGTSRQXAJOUJPHY-UHFFFAOYSA-N
XLogP3.94
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(cyclopenten-1-yl)-6H-imidazo[1,2-c]pyrimidin-5-one
CID 162648507
8-(cyclohexen-1-yl)-6H-imidazo[1,2-c]pyrimidin-5-one
CID 162675611
N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71941121
3-[2-(Cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 122134309
N-[(1S)-1-(3-cyano-5-fluorocyclohexa-1,3-dien-1-yl)-3-iminopropyl]imidazole-1-carboxamide
CID 163762053
N1-(3-(1H-imidazol-1-yl)propyl)-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 45584870
1-amino-N-(3-imidazol-1-ylbutyl)-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 20158886
1-[(2-Methyl-1,2-dihydropyridin-6-yl)methyl]-3-(1-methylimidazol-4-yl)urea
CID 66664894
1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one
CID 68349665
6-(3-imidazol-1-ylpropyl)-7H-pyrido[3,4-d]pyrimidine-4,6-diamine
CID 69755911
N-cyclohex-2-en-1-ylimidazole-1-carboxamide
CID 70427339
N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide
CID 71001372

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (CID 91525605) is 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is O=c1[nH]c(NC2CCCCC2)c(C2=CC=CCC2)n1CCCn1ccnc1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The InChIKey is GTSRQXAJOUJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-21-24-20(23-18-10-5-2-6-11-18)19(17-8-3-1-4-9-17)26(21)14-7-13-25-15-12-22-16-25/h1,3,8,12,15-16,18,23H,2,4-7,9-11,13-14H2,(H,24,27).
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one has a molecular weight of 367.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 91525605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).