3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide

C15H18ClN3O — CID 142039265

IUPAC3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide
SMILESCCc1ncn(Cc2ccc(Cl)cc2)c1C(=O)N(C)C
InChIInChI=1S/C15H18ClN3O/c1-4-13-14(15(20)18(2)3)19(10-17-13)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyLPJXJYMYWBUSCF-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.85
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide

3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide (PubChem CID 142039265) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide
PubChem CID142039265
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide
SMILESCCc1ncn(Cc2ccc(Cl)cc2)c1C(=O)N(C)C
InChIInChI=1S/C15H18ClN3O/c1-4-13-14(15(20)18(2)3)19(10-17-13)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyLPJXJYMYWBUSCF-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-ethylimidazole-4-carboxylic acid
CID 130117883
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475
3-[(4-ethoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82301541
5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole
CID 66016298
3-benzyl-5-ethylimidazol-4-amine
CID 58192367
N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
CID 71711224
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 55110396
1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82297656
3-[(4-chlorophenyl)methyl]-5-[(4,4-diphenylpiperidin-1-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazole-4-carboxamide
CID 18523515

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide (CID 142039265) is 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide is CCc1ncn(Cc2ccc(Cl)cc2)c1C(=O)N(C)C.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide?
The InChIKey is LPJXJYMYWBUSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-13-14(15(20)18(2)3)19(10-17-13)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide?
3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-ethyl-N,N-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 142039265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).