3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

C18H24FN5O — CID 71868536

IUPAC3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCN(Cc1ncnn1C)C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H24FN5O/c1-23(11-16-21-13-22-24(16)2)17(25)20-12-18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,25)
InChIKeyQZRVCYJCHNMQFL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.61
Rot. Bonds5

About 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 71868536) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID71868536
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCN(Cc1ncnn1C)C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H24FN5O/c1-23(11-16-21-13-22-24(16)2)17(25)20-12-18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,25)
InChIKeyQZRVCYJCHNMQFL-UHFFFAOYSA-N
XLogP2.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 71868536) is 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is CN(Cc1ncnn1C)C(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is QZRVCYJCHNMQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-23(11-16-21-13-22-24(16)2)17(25)20-12-18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,25).
What are the key properties of 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 345.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 71868536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).