1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea

C17H22N4O — CID 91628992

IUPAC1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCn2ccnc2C2CC2)cc1C
InChIInChI=1S/C17H22N4O/c1-12-3-6-15(11-13(12)2)20-17(22)19-8-10-21-9-7-18-16(21)14-4-5-14/h3,6-7,9,11,14H,4-5,8,10H2,1-2H3,(H2,19,20,22)
InChIKeyWSDTWTPAGQCLCC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.20
Rot. Bonds5

About 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea

1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 91628992) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
PubChem CID91628992
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCn2ccnc2C2CC2)cc1C
InChIInChI=1S/C17H22N4O/c1-12-3-6-15(11-13(12)2)20-17(22)19-8-10-21-9-7-18-16(21)14-4-5-14/h3,6-7,9,11,14H,4-5,8,10H2,1-2H3,(H2,19,20,22)
InChIKeyWSDTWTPAGQCLCC-UHFFFAOYSA-N
XLogP3.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 91628946
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 121019969
(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97268216
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
4-bromo-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 91628987
1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
CID 71808079
(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 100681126
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 855136
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
CID 47158827
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea (CID 91628992) is 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCCn2ccnc2C2CC2)cc1C.
What is the InChIKey of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is WSDTWTPAGQCLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-3-6-15(11-13(12)2)20-17(22)19-8-10-21-9-7-18-16(21)14-4-5-14/h3,6-7,9,11,14H,4-5,8,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 91628992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).