1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea

C16H14Cl2N4O — CID 90695813

IUPAC1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NCc3cc(Cl)cc(Cl)c3)cccc21
InChIInChI=1S/C16H14Cl2N4O/c1-22-15-4-2-3-14(13(15)9-20-22)21-16(23)19-8-10-5-11(17)7-12(18)6-10/h2-7,9H,8H2,1H3,(H2,19,21,23)
InChIKeyBWJOOHCHKUSDGP-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.20
Rot. Bonds3

About 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea

1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea (PubChem CID 90695813) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
PubChem CID90695813
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NCc3cc(Cl)cc(Cl)c3)cccc21
InChIInChI=1S/C16H14Cl2N4O/c1-22-15-4-2-3-14(13(15)9-20-22)21-16(23)19-8-10-5-11(17)7-12(18)6-10/h2-7,9H,8H2,1H3,(H2,19,21,23)
InChIKeyBWJOOHCHKUSDGP-UHFFFAOYSA-N
XLogP4.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)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

1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea
CID 16749465
1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
CID 22337656
1,1-dimethyl-3-(1-methylindazol-4-yl)urea
CID 171763124
1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea
CID 154841350
1-chloro-2-(1-methylindazol-4-yl)hydrazine
CID 88866693
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1-methylindazol-4-yl)urea
CID 66550281
5-(furan-2-yl)-N-(1-methylindazol-4-yl)-1H-pyrazole-3-carboxamide
CID 146127327
2-methyl-4-[(1-methylindazol-4-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 167803661
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
CID 841598
2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide
CID 168968066
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea (CID 90695813) is 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea is Cn1ncc2c(NC(=O)NCc3cc(Cl)cc(Cl)c3)cccc21.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The InChIKey is BWJOOHCHKUSDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-22-15-4-2-3-14(13(15)9-20-22)21-16(23)19-8-10-5-11(17)7-12(18)6-10/h2-7,9H,8H2,1H3,(H2,19,21,23).
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea has a molecular weight of 349.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 90695813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).