ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate

C19H24ClN3O3 — CID 23634020

IUPACethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(CC)n1CC(C)C
InChIInChI=1S/C19H24ClN3O3/c1-5-15-21-17(22-18(24)13-7-9-14(20)10-8-13)16(19(25)26-6-2)23(15)11-12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyZHCPRCDDNQKDQS-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.18
Rot. Bonds7

About ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate

ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate (PubChem CID 23634020) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate
PubChem CID23634020
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Nameethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(CC)n1CC(C)C
InChIInChI=1S/C19H24ClN3O3/c1-5-15-21-17(22-18(24)13-7-9-14(20)10-8-13)16(19(25)26-6-2)23(15)11-12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyZHCPRCDDNQKDQS-UHFFFAOYSA-N
XLogP4.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate (CID 23634020) is ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(CC)n1CC(C)C.
What is the InChIKey of ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate?
The InChIKey is ZHCPRCDDNQKDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-5-15-21-17(22-18(24)13-7-9-14(20)10-8-13)16(19(25)26-6-2)23(15)11-12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate?
ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate has a molecular weight of 377.87 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-chlorobenzoyl)amino]-2-ethyl-3-(2-methylpropyl)imidazole-4-carboxylate is sourced from PubChem (CID 23634020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).