(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone

C16H13FN2O — CID 67120471

IUPAC(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone
SMILESO=C(c1ccccc1F)C1CN=C(c2ccccc2)N1
InChIInChI=1S/C16H13FN2O/c17-13-9-5-4-8-12(13)15(20)14-10-18-16(19-14)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)
InChIKeyNOTDNPMTPAWJNN-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.43
Rot. Bonds3

About (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone

(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone (PubChem CID 67120471) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone
PubChem CID67120471
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone
SMILESO=C(c1ccccc1F)C1CN=C(c2ccccc2)N1
InChIInChI=1S/C16H13FN2O/c17-13-9-5-4-8-12(13)15(20)14-10-18-16(19-14)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)
InChIKeyNOTDNPMTPAWJNN-UHFFFAOYSA-N
XLogP2.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
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2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
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(2-fluorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
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2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone (CID 67120471) is (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone is O=C(c1ccccc1F)C1CN=C(c2ccccc2)N1.
What is the InChIKey of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone?
The InChIKey is NOTDNPMTPAWJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-9-5-4-8-12(13)15(20)14-10-18-16(19-14)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19).
What are the key properties of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone?
(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone has a molecular weight of 268.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 67120471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).