N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide

C12H12N4O3 — CID 81257098

IUPACN-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)n1ccnc1
InChIInChI=1S/C12H12N4O3/c1-19-10-3-2-8(11(13)17)6-9(10)15-12(18)16-5-4-14-7-16/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKeyINVHOIYODFLZCD-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.07
Rot. Bonds3

About N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide

N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide (PubChem CID 81257098) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
PubChem CID81257098
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)n1ccnc1
InChIInChI=1S/C12H12N4O3/c1-19-10-3-2-8(11(13)17)6-9(10)15-12(18)16-5-4-14-7-16/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKeyINVHOIYODFLZCD-UHFFFAOYSA-N
XLogP1.07
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide (CID 81257098) is N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)n1ccnc1.
What is the InChIKey of N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide?
The InChIKey is INVHOIYODFLZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-10-3-2-8(11(13)17)6-9(10)15-12(18)16-5-4-14-7-16/h2-7H,1H3,(H2,13,17)(H,15,18).
What are the key properties of N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide?
N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).