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

C19H30N4O2 — CID 168979427

IUPAC1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCCC1=CCCC=C1)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C19H30N4O2/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)
InChIKeyQJVLKHANOJBNIU-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.99
Rot. Bonds10

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

1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea (PubChem CID 168979427) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 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 Properties

Compound Name1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea
PubChem CID168979427
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCCC1=CCCC=C1)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C19H30N4O2/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)
InChIKeyQJVLKHANOJBNIU-UHFFFAOYSA-N
XLogP2.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 163278241
[(E,6S)-6-(ethylcarbamoylamino)-9,9,9-trifluoronon-3-enyl] 1-propan-2-ylimidazole-2-carboximidate
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[(E,6S)-6-(ethylcarbamoylamino)-9,9,9-trifluoronon-3-enyl] 1-methylimidazole-2-carboximidate
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[(Z,5S)-5-(ethylcarbamoylamino)-8,8,8-trifluorooct-2-enyl] 1-methylimidazole-2-carboximidate
CID 174004818
[(E)-6-[[ethyl(propan-2-yl)carbamoyl]amino]-9,9,9-trifluoronon-3-enyl] 1-methyl-N-prop-1-en-2-ylimidazole-2-carboximidate
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4-cyclohexa-1,3-dien-1-yl-5-(cyclohexylamino)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
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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?
The IUPAC name of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea (CID 168979427) is 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea.
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?
The canonical SMILES for 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea is COCCN(CCCC1=CCCC=C1)C(=O)NC(C)Cn1ccnc1.
What is the InChIKey of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea?
The InChIKey is QJVLKHANOJBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/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).
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?
1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-(2-methoxyethyl)urea has a molecular weight of 346.48 g/mol, XLogP of 2.99, 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 is sourced from PubChem (CID 168979427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).