1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea

C19H21N5O2 — CID 155567807

IUPAC1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea
SMILESCOc1ccc(Cc2cn(CCNC(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-18-9-7-15(8-10-18)13-17-14-24(23-22-17)12-11-20-19(25)21-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H2,20,21,25)
InChIKeyAWVLDVHVQPQFTI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.70
Rot. Bonds7

About 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea

1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea (PubChem CID 155567807) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea
PubChem CID155567807
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea
SMILESCOc1ccc(Cc2cn(CCNC(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-18-9-7-15(8-10-18)13-17-14-24(23-22-17)12-11-20-19(25)21-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H2,20,21,25)
InChIKeyAWVLDVHVQPQFTI-UHFFFAOYSA-N
XLogP2.70
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(4'-Methoxy(1,1'-biphenyl)-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenyl-1-piperidinyl)-methanone
CID 53364533
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
trans-(1R,2S)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 164612273
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
(2S)-N-hydroxy-2-[[1-[(2-methoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 145961321
(2S)-N-hydroxy-2-[[1-[1-(2-methoxyphenyl)ethyl]triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 145961499
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-[2-methyl-5-(oxolan-3-yloxy)phenyl]urea
CID 162670616
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 46885864
Carbamic acid, N-(5-((2-phenylethyl)((4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazol-1-yl)carbonyl)amino)pentyl)-, 1,1-dimethylethyl ester
CID 56643167
1-[4-[3-[2-(2-Methoxyphenyl)ethyl]triazol-4-yl]butyl]pyrimidine-2,4-dione
CID 60195563
1-[4-[3-[2-(3-Methoxyphenyl)ethyl]triazol-4-yl]butyl]pyrimidine-2,4-dione
CID 60195564

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea (CID 155567807) is 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea is COc1ccc(Cc2cn(CCNC(=O)Nc3ccccc3)nn2)cc1.
What is the InChIKey of 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea?
The InChIKey is AWVLDVHVQPQFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-18-9-7-15(8-10-18)13-17-14-24(23-22-17)12-11-20-19(25)21-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H2,20,21,25).
What are the key properties of 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea?
1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea has a molecular weight of 351.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 155567807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).