1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea

C18H19N5O2 — CID 121176489

IUPAC1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
SMILESCOc1ccccc1NC(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-25-17-10-6-5-9-15(17)21-18(24)22-16(13-23-19-11-12-20-23)14-7-3-2-4-8-14/h2-12,16H,13H2,1H3,(H2,21,22,24)
InChIKeyMDXLTZCIHNNKIT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.85
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea

1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea (PubChem CID 121176489) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
PubChem CID121176489
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
SMILESCOc1ccccc1NC(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-25-17-10-6-5-9-15(17)21-18(24)22-16(13-23-19-11-12-20-23)14-7-3-2-4-8-14/h2-12,16H,13H2,1H3,(H2,21,22,24)
InChIKeyMDXLTZCIHNNKIT-UHFFFAOYSA-N
XLogP2.85
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176493
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea (CID 121176489) is 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea is COc1ccccc1NC(=O)NC(Cn1nccn1)c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
The InChIKey is MDXLTZCIHNNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-17-10-6-5-9-15(17)21-18(24)22-16(13-23-19-11-12-20-23)14-7-3-2-4-8-14/h2-12,16H,13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea has a molecular weight of 337.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea is sourced from PubChem (CID 121176489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).