methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate

C16H18ClN3O3 — CID 155660592

IUPACmethyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(Cc1ccccc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C16H18ClN3O3/c1-16(2,14(21)23-3)20(15(22)19-9-8-18-11-19)10-12-6-4-5-7-13(12)17/h4-9,11H,10H2,1-3H3
InChIKeyYCPFQHRICFRUJD-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.96
Rot. Bonds4

About methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate

methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate (PubChem CID 155660592) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
PubChem CID155660592
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Namemethyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(Cc1ccccc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C16H18ClN3O3/c1-16(2,14(21)23-3)20(15(22)19-9-8-18-11-19)10-12-6-4-5-7-13(12)17/h4-9,11H,10H2,1-3H3
InChIKeyYCPFQHRICFRUJD-UHFFFAOYSA-N
XLogP2.96
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate 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

propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
CID 155660588
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
CID 143792756
methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate
CID 81257262
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
CID 112722748
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
CID 113254769
(2-methoxyphenyl)methyl imidazole-1-carboxylate
CID 170657703
(2R,3S)-1-imidazol-1-yl-3-methyl-2-(tritylamino)pentan-1-one
CID 93010917
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 103289639
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate (CID 155660592) is methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)N(Cc1ccccc1Cl)C(=O)n1ccnc1.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
The InChIKey is YCPFQHRICFRUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-16(2,14(21)23-3)20(15(22)19-9-8-18-11-19)10-12-6-4-5-7-13(12)17/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate has a molecular weight of 335.79 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 155660592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).