1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea

C19H22N6O4 — CID 55697872

IUPAC1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCOc1ccc(OC)c(C(O)CNC(=O)Nc2cccc(-n3nnnc3C)c2)c1
InChIInChI=1S/C19H22N6O4/c1-12-22-23-24-25(12)14-6-4-5-13(9-14)21-19(27)20-11-17(26)16-10-15(28-2)7-8-18(16)29-3/h4-10,17,26H,11H2,1-3H3,(H2,20,21,27)
InChIKeyFUFVPKVJYKIRLN-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.84
Rot. Bonds7

About 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea

1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea (PubChem CID 55697872) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
PubChem CID55697872
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCOc1ccc(OC)c(C(O)CNC(=O)Nc2cccc(-n3nnnc3C)c2)c1
InChIInChI=1S/C19H22N6O4/c1-12-22-23-24-25(12)14-6-4-5-13(9-14)21-19(27)20-11-17(26)16-10-15(28-2)7-8-18(16)29-3/h4-10,17,26H,11H2,1-3H3,(H2,20,21,27)
InChIKeyFUFVPKVJYKIRLN-UHFFFAOYSA-N
XLogP1.84
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 51940999
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946045
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 92613775
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 75463706
4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
CID 55740597
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea (CID 55697872) is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea is COc1ccc(OC)c(C(O)CNC(=O)Nc2cccc(-n3nnnc3C)c2)c1.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The InChIKey is FUFVPKVJYKIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-12-22-23-24-25(12)14-6-4-5-13(9-14)21-19(27)20-11-17(26)16-10-15(28-2)7-8-18(16)29-3/h4-10,17,26H,11H2,1-3H3,(H2,20,21,27).
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea has a molecular weight of 398.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 55697872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).