N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide

C13H12N4O2 — CID 103858045

IUPACN-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C13H12N4O2/c1-17-8-12(15-9-17)13(18)16-10-2-4-11(5-3-10)19-7-6-14/h2-5,8-9H,7H2,1H3,(H,16,18)
InChIKeyRBWVAGNQECPQJA-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.57
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide

N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide (PubChem CID 103858045) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide
PubChem CID103858045
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C13H12N4O2/c1-17-8-12(15-9-17)13(18)16-10-2-4-11(5-3-10)19-7-6-14/h2-5,8-9H,7H2,1H3,(H,16,18)
InChIKeyRBWVAGNQECPQJA-UHFFFAOYSA-N
XLogP1.57
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973932
1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
1-benzyl-N-[4-(cyanomethoxy)phenyl]triazole-4-carboxamide
CID 31867870
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide
CID 103401608
1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide (CID 103858045) is N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc(OCC#N)cc2)c1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide?
The InChIKey is RBWVAGNQECPQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-8-12(15-9-17)13(18)16-10-2-4-11(5-3-10)19-7-6-14/h2-5,8-9H,7H2,1H3,(H,16,18).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide?
N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103858045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).