1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea

C17H21FN4O — CID 91923853

IUPAC1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea
SMILESCc1cnc(CCNC(=O)Nc2ccccc2F)n1C1CCC1
InChIInChI=1S/C17H21FN4O/c1-12-11-20-16(22(12)13-5-4-6-13)9-10-19-17(23)21-15-8-3-2-7-14(15)18/h2-3,7-8,11,13H,4-6,9-10H2,1H3,(H2,19,21,23)
InChIKeyRTPNBJGRQKOOJI-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea

1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 91923853) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea
PubChem CID91923853
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea
SMILESCc1cnc(CCNC(=O)Nc2ccccc2F)n1C1CCC1
InChIInChI=1S/C17H21FN4O/c1-12-11-20-16(22(12)13-5-4-6-13)9-10-19-17(23)21-15-8-3-2-7-14(15)18/h2-3,7-8,11,13H,4-6,9-10H2,1H3,(H2,19,21,23)
InChIKeyRTPNBJGRQKOOJI-UHFFFAOYSA-N
XLogP3.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea (CID 91923853) is 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea is Cc1cnc(CCNC(=O)Nc2ccccc2F)n1C1CCC1.
What is the InChIKey of 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is RTPNBJGRQKOOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-11-20-16(22(12)13-5-4-6-13)9-10-19-17(23)21-15-8-3-2-7-14(15)18/h2-3,7-8,11,13H,4-6,9-10H2,1H3,(H2,19,21,23).
What are the key properties of 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea?
1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 316.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 91923853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).