N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide

C14H16ClN3O3 — CID 127267538

IUPACN-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2nc[nH]c2C)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-9-13(17-8-16-9)14(19)18-10-3-4-12(11(15)7-10)21-6-5-20-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYWXBIYSXCLWPHL-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.65
Rot. Bonds6

About N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 127267538) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID127267538
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2nc[nH]c2C)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-9-13(17-8-16-9)14(19)18-10-3-4-12(11(15)7-10)21-6-5-20-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYWXBIYSXCLWPHL-UHFFFAOYSA-N
XLogP2.65
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 107518009
N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859494
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683972
4-[3-chloro-4-(2-methoxyethoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133689
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47067788
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 127267538) is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide is COCCOc1ccc(NC(=O)c2nc[nH]c2C)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is YWXBIYSXCLWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-9-13(17-8-16-9)14(19)18-10-3-4-12(11(15)7-10)21-6-5-20-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 127267538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).