1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea

C18H20N6O — CID 171801159

IUPAC1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)NCc2cccnn2)cc1
InChIInChI=1S/C18H20N6O/c1-13(24-11-10-19-14(24)2)15-5-7-16(8-6-15)22-18(25)20-12-17-4-3-9-21-23-17/h3-11,13H,12H2,1-2H3,(H2,20,22,25)/t13-/m1/s1
InChIKeyJKQGRWIZVVUDPY-CYBMUJFWSA-N
MW336.40 g/mol
LogP2.91
Rot. Bonds5

About 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea

1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea (PubChem CID 171801159) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
PubChem CID171801159
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)NCc2cccnn2)cc1
InChIInChI=1S/C18H20N6O/c1-13(24-11-10-19-14(24)2)15-5-7-16(8-6-15)22-18(25)20-12-17-4-3-9-21-23-17/h3-11,13H,12H2,1-2H3,(H2,20,22,25)/t13-/m1/s1
InChIKeyJKQGRWIZVVUDPY-CYBMUJFWSA-N
XLogP2.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-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

Related Compounds

1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801368
1-[(4-fluoro-2-pyridinyl)methyl]-3-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801164
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
CID 171801254
phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801207
phenyl N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801428
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
CID 171801089
1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
CID 154863683
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
(1S,4R)-1-ethyl-N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 171801410
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea?
The IUPAC name of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea (CID 171801159) is 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea is Cc1nccn1[C@H](C)c1ccc(NC(=O)NCc2cccnn2)cc1.
What is the InChIKey of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea?
The InChIKey is JKQGRWIZVVUDPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13(24-11-10-19-14(24)2)15-5-7-16(8-6-15)22-18(25)20-12-17-4-3-9-21-23-17/h3-11,13H,12H2,1-2H3,(H2,20,22,25)/t13-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea?
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea has a molecular weight of 336.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea is sourced from PubChem (CID 171801159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).