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

C18H22ClN3O3 — CID 155660588

IUPACpropyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
SMILESCCCOC(=O)C(C)(C)N(Cc1ccccc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C18H22ClN3O3/c1-4-11-25-16(23)18(2,3)22(17(24)21-10-9-20-13-21)12-14-7-5-6-8-15(14)19/h5-10,13H,4,11-12H2,1-3H3
InChIKeyHQWZEOFXABRVNV-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.74
Rot. Bonds6

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

propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate (PubChem CID 155660588) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namepropyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
PubChem CID155660588
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Namepropyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
SMILESCCCOC(=O)C(C)(C)N(Cc1ccccc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C18H22ClN3O3/c1-4-11-25-16(23)18(2,3)22(17(24)21-10-9-20-13-21)12-14-7-5-6-8-15(14)19/h5-10,13H,4,11-12H2,1-3H3
InChIKeyHQWZEOFXABRVNV-UHFFFAOYSA-N
XLogP3.74
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
CID 155660592
2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
CID 143792756
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate
CID 174972525
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
CID 112722748
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
CID 87389277
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
2-(2-chloro-6-fluorophenyl)-1-imidazol-1-ylethanone
CID 82117132

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate (CID 155660588) is propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate is CCCOC(=O)C(C)(C)N(Cc1ccccc1Cl)C(=O)n1ccnc1.
What is the InChIKey of propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
The InChIKey is HQWZEOFXABRVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-4-11-25-16(23)18(2,3)22(17(24)21-10-9-20-13-21)12-14-7-5-6-8-15(14)19/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate?
propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate has a molecular weight of 363.85 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 155660588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).