N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide

C12H13N3O2 — CID 81268024

IUPACN-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)n2ccnc2)cc1
InChIInChI=1S/C12H13N3O2/c1-14(12(16)15-8-7-13-9-15)10-3-5-11(17-2)6-4-10/h3-9H,1-2H3
InChIKeyKEOUAVXGZWGBBD-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.00
Rot. Bonds2

About N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide

N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide (PubChem CID 81268024) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide
PubChem CID81268024
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)n2ccnc2)cc1
InChIInChI=1S/C12H13N3O2/c1-14(12(16)15-8-7-13-9-15)10-3-5-11(17-2)6-4-10/h3-9H,1-2H3
InChIKeyKEOUAVXGZWGBBD-UHFFFAOYSA-N
XLogP2.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
N-(4-methoxyphenyl)-N-methyl-2-pyridin-4-ylacetamide
CID 110468130
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687
N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide
CID 81257273
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
N-methyl-N-propylimidazole-1-carboxamide
CID 78983424
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 102127116

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide (CID 81268024) is N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide is COc1ccc(N(C)C(=O)n2ccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide?
The InChIKey is KEOUAVXGZWGBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14(12(16)15-8-7-13-9-15)10-3-5-11(17-2)6-4-10/h3-9H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide?
N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 81268024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).