3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

C19H19ClN4O — CID 90570011

IUPAC3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C19H19ClN4O/c20-15-6-4-14(5-7-15)11-22-19(25)24(16-8-9-16)13-17-12-21-18-3-1-2-10-23(17)18/h1-7,10,12,16H,8-9,11,13H2,(H,22,25)
InChIKeyWRWMOGCRHOZGEI-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.86
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (PubChem CID 90570011) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
PubChem CID90570011
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C19H19ClN4O/c20-15-6-4-14(5-7-15)11-22-19(25)24(16-8-9-16)13-17-12-21-18-3-1-2-10-23(17)18/h1-7,10,12,16H,8-9,11,13H2,(H,22,25)
InChIKeyWRWMOGCRHOZGEI-UHFFFAOYSA-N
XLogP3.86
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (CID 90570011) is 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is O=C(NCc1ccc(Cl)cc1)N(Cc1cnc2ccccn12)C1CC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The InChIKey is WRWMOGCRHOZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-15-6-4-14(5-7-15)11-22-19(25)24(16-8-9-16)13-17-12-21-18-3-1-2-10-23(17)18/h1-7,10,12,16H,8-9,11,13H2,(H,22,25).
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea has a molecular weight of 354.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 90570011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).