1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

C14H19N5O2 — CID 111483103

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCc1ccccc1C(O)CNC(=O)NCc1ncnn1C
InChIInChI=1S/C14H19N5O2/c1-10-5-3-4-6-11(10)12(20)7-15-14(21)16-8-13-17-9-18-19(13)2/h3-6,9,12,20H,7-8H2,1-2H3,(H2,15,16,21)
InChIKeyRLFKTUCABFGKIQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.66
Rot. Bonds5

About 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 111483103) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID111483103
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCc1ccccc1C(O)CNC(=O)NCc1ncnn1C
InChIInChI=1S/C14H19N5O2/c1-10-5-3-4-6-11(10)12(20)7-15-14(21)16-8-13-17-9-18-19(13)2/h3-6,9,12,20H,7-8H2,1-2H3,(H2,15,16,21)
InChIKeyRLFKTUCABFGKIQ-UHFFFAOYSA-N
XLogP0.66
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111483104
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 97212812
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 111119606
1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 96537537
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119580
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 111483103) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is Cc1ccccc1C(O)CNC(=O)NCc1ncnn1C.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is RLFKTUCABFGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-5-3-4-6-11(10)12(20)7-15-14(21)16-8-13-17-9-18-19(13)2/h3-6,9,12,20H,7-8H2,1-2H3,(H2,15,16,21).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 289.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 111483103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).