N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide

C13H15N3O2 — CID 110467542

IUPACN-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnc(C)[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-14-8-12(15-9)13(17)16(2)10-4-6-11(18-3)7-5-10/h4-8H,1-3H3,(H,14,15)
InChIKeyYRKHKXNADAKAPV-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide

N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide (PubChem CID 110467542) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide
PubChem CID110467542
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnc(C)[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-14-8-12(15-9)13(17)16(2)10-4-6-11(18-3)7-5-10/h4-8H,1-3H3,(H,14,15)
InChIKeyYRKHKXNADAKAPV-UHFFFAOYSA-N
XLogP2.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
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(4-methoxyphenyl)-methylcarbamic acid
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4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62082318
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687
1-(4-methoxyphenyl)-1,3-dimethylurea
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2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
N-(4-methoxyphenyl)-N-methyl-2-pyridin-4-ylacetamide
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2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
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2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
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N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide (CID 110467542) is N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide is COc1ccc(N(C)C(=O)c2cnc(C)[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide?
The InChIKey is YRKHKXNADAKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-14-8-12(15-9)13(17)16(2)10-4-6-11(18-3)7-5-10/h4-8H,1-3H3,(H,14,15).
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide?
N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).