phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate

C16H13N3O2 — CID 110726422

IUPACphenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
SMILESO=C(Nc1cccc(-c2ncc[nH]2)c1)Oc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-16(21-14-7-2-1-3-8-14)19-13-6-4-5-12(11-13)15-17-9-10-18-15/h1-11H,(H,17,18)(H,19,20)
InChIKeyVAOHBVYCTMGXHC-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.69
Rot. Bonds3

About phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate

phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate (PubChem CID 110726422) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
PubChem CID110726422
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Namephenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
SMILESO=C(Nc1cccc(-c2ncc[nH]2)c1)Oc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-16(21-14-7-2-1-3-8-14)19-13-6-4-5-12(11-13)15-17-9-10-18-15/h1-11H,(H,17,18)(H,19,20)
InChIKeyVAOHBVYCTMGXHC-UHFFFAOYSA-N
XLogP3.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 110726436
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110474517
3-hydroxy-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110472407
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 96504504
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380
2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide
CID 119871893

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate (CID 110726422) is phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate is O=C(Nc1cccc(-c2ncc[nH]2)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate?
The InChIKey is VAOHBVYCTMGXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21-14-7-2-1-3-8-14)19-13-6-4-5-12(11-13)15-17-9-10-18-15/h1-11H,(H,17,18)(H,19,20).
What are the key properties of phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate?
phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate has a molecular weight of 279.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate is sourced from PubChem (CID 110726422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).