1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen

C19H32N4O2 — CID 168979426

IUPAC1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen
SMILESCOCCN(CCCC1=CCCC=C1)C(=O)NC(C)Cn1ccnc1.[H][H]
InChIInChI=1S/C19H30N4O2.H2/c1-17(15-22-12-10-20-16-22)21-19(24)23(13-14-25-2)11-6-9-18-7-4-3-5-8-18;/h4,7-8,10,12,16-17H,3,5-6,9,11,13-15H2,1-2H3,(H,21,24);1H
InChIKeyZTILWEOUGWFKLQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.23
Rot. Bonds10

About 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen

1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen (PubChem CID 168979426) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen.

Molecular Properties

Compound Name1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen
PubChem CID168979426
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen
SMILESCOCCN(CCCC1=CCCC=C1)C(=O)NC(C)Cn1ccnc1.[H][H]
InChIInChI=1S/C19H30N4O2.H2/c1-17(15-22-12-10-20-16-22)21-19(24)23(13-14-25-2)11-6-9-18-7-4-3-5-8-18;/h4,7-8,10,12,16-17H,3,5-6,9,11,13-15H2,1-2H3,(H,21,24);1H
InChIKeyZTILWEOUGWFKLQ-UHFFFAOYSA-N
XLogP3.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen 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

N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(3-imidazol-1-ylpropyl)amino]-2-oxoethyl]-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]acetamide
CID 145984371
[(E)-6-[[ethyl(propan-2-yl)carbamoyl]amino]-9,9,9-trifluoronon-3-enyl] 1-methyl-N-prop-1-en-2-ylimidazole-2-carboximidate;prop-1-ene
CID 163278241
[(E,6S)-6-(ethylcarbamoylamino)-9,9,9-trifluoronon-3-enyl] 1-propan-2-ylimidazole-2-carboximidate
CID 167047210
[(E,6S)-6-(ethylcarbamoylamino)-9,9,9-trifluoronon-3-enyl] 1-methylimidazole-2-carboximidate
CID 167047267
[(E)-6-(ethylcarbamoylamino)-7-fluorohept-3-enyl] 1-methylimidazole-2-carboximidate
CID 167047319
[(E)-6-[[ethyl(propan-2-yl)carbamoyl]amino]-9,9,9-trifluoronon-3-enyl] 1-methyl-N-prop-1-en-2-ylimidazole-2-carboximidate
CID 163278242
4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91525605
N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide
CID 123408468
N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide
CID 123721364
N-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]formamide;2-(3-imidazol-1-ylpropyl)-3-methyl-1,2,6-oxadiazinane
CID 142043847
2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride
CID 142633392
ethane;N-[6-(imidazol-1-ylmethyl)cyclohepta-1,6-dien-1-yl]formamide
CID 143246262

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen?
The IUPAC name of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen (CID 168979426) is 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen.
What is the SMILES notation for 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen?
The canonical SMILES for 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen is COCCN(CCCC1=CCCC=C1)C(=O)NC(C)Cn1ccnc1.[H][H].
What is the InChIKey of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen?
The InChIKey is ZTILWEOUGWFKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.H2/c1-17(15-22-12-10-20-16-22)21-19(24)23(13-14-25-2)11-6-9-18-7-4-3-5-8-18;/h4,7-8,10,12,16-17H,3,5-6,9,11,13-15H2,1-2H3,(H,21,24);1H.
What are the key properties of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen?
1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen has a molecular weight of 348.49 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea;molecular hydrogen is sourced from PubChem (CID 168979426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).