N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide

C12H13N3O2 — CID 81257037

IUPACN-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)n1ccnc1
InChIInChI=1S/C12H13N3O2/c1-9-3-4-10(11(7-9)17-2)14-12(16)15-6-5-13-8-15/h3-8H,1-2H3,(H,14,16)
InChIKeyVRCAOXWTQJDBJB-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.28
Rot. Bonds2

About N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide

N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide (PubChem CID 81257037) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
PubChem CID81257037
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)n1ccnc1
InChIInChI=1S/C12H13N3O2/c1-9-3-4-10(11(7-9)17-2)14-12(16)15-6-5-13-8-15/h3-8H,1-2H3,(H,14,16)
InChIKeyVRCAOXWTQJDBJB-UHFFFAOYSA-N
XLogP2.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
CID 81257098
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
(5-chloro-2-methoxyphenyl)-imidazol-1-ylmethanone
CID 68987646
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide (CID 81257037) is N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide is COc1cc(C)ccc1NC(=O)n1ccnc1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide?
The InChIKey is VRCAOXWTQJDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-3-4-10(11(7-9)17-2)14-12(16)15-6-5-13-8-15/h3-8H,1-2H3,(H,14,16).
What are the key properties of N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide?
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).