1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea

C20H23N5O2 — CID 162647417

IUPAC1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea
SMILESCCCCc1cn(-c2ccc(NC(=O)Nc3cc(O)ccc3C)cc2)nn1
InChIInChI=1S/C20H23N5O2/c1-3-4-5-16-13-25(24-23-16)17-9-7-15(8-10-17)21-20(27)22-19-12-18(26)11-6-14(19)2/h6-13,26H,3-5H2,1-2H3,(H2,21,22,27)
InChIKeyLRSYQBKWUVFWSC-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.27
Rot. Bonds6

About 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea

1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea (PubChem CID 162647417) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea
PubChem CID162647417
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea
SMILESCCCCc1cn(-c2ccc(NC(=O)Nc3cc(O)ccc3C)cc2)nn1
InChIInChI=1S/C20H23N5O2/c1-3-4-5-16-13-25(24-23-16)17-9-7-15(8-10-17)21-20(27)22-19-12-18(26)11-6-14(19)2/h6-13,26H,3-5H2,1-2H3,(H2,21,22,27)
InChIKeyLRSYQBKWUVFWSC-UHFFFAOYSA-N
XLogP4.27
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Isopentyltriazol-1-yl)-3-methoxy-phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455308
3-[4-(4-butyl-1H-1,2,3-triazol-1-yl)phenyl]-1-[5-(cyclopentyloxy)-2-methylphenyl]urea
CID 122455326
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-[5-(methoxymethoxy)-2-methylphenyl]urea
CID 122455386
3-[4-(4-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]phenol
CID 44585931
[3-[[4-(4-Butyltriazol-1-yl)phenyl]carbamoylamino]-4-methylphenyl] diethyl phosphate
CID 162666917
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-[2-methyl-5-(oxolan-3-yloxy)phenyl]urea
CID 162670616
1-[4-(4-Isopentyltriazol-1-yl)-2-methoxy-phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 129906805
3-Amino-4-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]phenol
CID 162649129
1-[2-(1-benzyltriazol-4-yl)ethyl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 124186860
1-[4-(4-Butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455268
1-[4-(4-Butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122494825
1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide
CID 165154346

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea?
The IUPAC name of 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea (CID 162647417) is 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea is CCCCc1cn(-c2ccc(NC(=O)Nc3cc(O)ccc3C)cc2)nn1.
What is the InChIKey of 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea?
The InChIKey is LRSYQBKWUVFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-4-5-16-13-25(24-23-16)17-9-7-15(8-10-17)21-20(27)22-19-12-18(26)11-6-14(19)2/h6-13,26H,3-5H2,1-2H3,(H2,21,22,27).
What are the key properties of 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea?
1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea has a molecular weight of 365.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea is sourced from PubChem (CID 162647417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).