1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea

C20H25ClN4O2 — CID 54263720

IUPAC1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea
SMILESCC/N=C(\NCC)NC(=O)Nc1c(C)cc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C20H25ClN4O2/c1-4-22-19(23-5-2)25-20(26)24-18-14(3)11-16(12-17(18)21)27-13-15-9-7-6-8-10-15/h6-12H,4-5,13H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyRFHFFSJZQOZSRY-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.33
Rot. Bonds6

About 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea

1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea (PubChem CID 54263720) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea
PubChem CID54263720
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea
SMILESCC/N=C(\NCC)NC(=O)Nc1c(C)cc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C20H25ClN4O2/c1-4-22-19(23-5-2)25-20(26)24-18-14(3)11-16(12-17(18)21)27-13-15-9-7-6-8-10-15/h6-12H,4-5,13H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyRFHFFSJZQOZSRY-UHFFFAOYSA-N
XLogP4.33
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride
CID 26961
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
1,3-diethyl-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110926802
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl 2-acetyl-3-chloro-5-phenylmethoxybenzoate
CID 91863418
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2-chloro-N-(2-chloroethyl)-4-phenylmethoxybenzamide
CID 3826640

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea?
The IUPAC name of 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea (CID 54263720) is 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea.
What is the SMILES notation for 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea?
The canonical SMILES for 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea is CC/N=C(\NCC)NC(=O)Nc1c(C)cc(OCc2ccccc2)cc1Cl.
What is the InChIKey of 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea?
The InChIKey is RFHFFSJZQOZSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-4-22-19(23-5-2)25-20(26)24-18-14(3)11-16(12-17(18)21)27-13-15-9-7-6-8-10-15/h6-12H,4-5,13H2,1-3H3,(H3,22,23,24,25,26).
What are the key properties of 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea?
1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea has a molecular weight of 388.90 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea is sourced from PubChem (CID 54263720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).