[4-(4-methylimidazol-1-yl)phenyl]carbamic acid

C11H11N3O2 — CID 149149751

IUPAC[4-(4-methylimidazol-1-yl)phenyl]carbamic acid
SMILESCc1cn(-c2ccc(NC(=O)O)cc2)cn1
InChIInChI=1S/C11H11N3O2/c1-8-6-14(7-12-8)10-4-2-9(3-5-10)13-11(15)16/h2-7,13H,1H3,(H,15,16)
InChIKeyKEWYLGFYHOQJNY-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.27
Rot. Bonds2

About [4-(4-methylimidazol-1-yl)phenyl]carbamic acid

[4-(4-methylimidazol-1-yl)phenyl]carbamic acid (PubChem CID 149149751) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is [4-(4-methylimidazol-1-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-methylimidazol-1-yl)phenyl]carbamic acid
PubChem CID149149751
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name[4-(4-methylimidazol-1-yl)phenyl]carbamic acid
SMILESCc1cn(-c2ccc(NC(=O)O)cc2)cn1
InChIInChI=1S/C11H11N3O2/c1-8-6-14(7-12-8)10-4-2-9(3-5-10)13-11(15)16/h2-7,13H,1H3,(H,15,16)
InChIKeyKEWYLGFYHOQJNY-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(4-methylimidazol-1-yl)phenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
CID 139426275
2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide
CID 70796311
2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340968
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid
CID 67422146
3-(4-methylimidazol-1-yl)benzoic acid
CID 82512349
2-methyl-5-(4-methylimidazol-1-yl)benzamide
CID 68604922
4-methyl-6-(4-methylimidazol-1-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 160560105
(2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)
CID 167540048
methyl 3-(4-methylimidazol-1-yl)benzoate
CID 22224935
1-(4-butylphenyl)-3-(1-phenylimidazol-4-yl)urea
CID 153390069
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
4-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]benzoic acid
CID 68851073

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylimidazol-1-yl)phenyl]carbamic acid?
The IUPAC name of [4-(4-methylimidazol-1-yl)phenyl]carbamic acid (CID 149149751) is [4-(4-methylimidazol-1-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-(4-methylimidazol-1-yl)phenyl]carbamic acid?
The canonical SMILES for [4-(4-methylimidazol-1-yl)phenyl]carbamic acid is Cc1cn(-c2ccc(NC(=O)O)cc2)cn1.
What is the InChIKey of [4-(4-methylimidazol-1-yl)phenyl]carbamic acid?
The InChIKey is KEWYLGFYHOQJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-6-14(7-12-8)10-4-2-9(3-5-10)13-11(15)16/h2-7,13H,1H3,(H,15,16).
What are the key properties of [4-(4-methylimidazol-1-yl)phenyl]carbamic acid?
[4-(4-methylimidazol-1-yl)phenyl]carbamic acid has a molecular weight of 217.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylimidazol-1-yl)phenyl]carbamic acid is sourced from PubChem (CID 149149751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).