1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone

C24H20N2O — CID 141198527

IUPAC1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20N2O/c1-15(27)18-9-5-6-10-19(18)17-11-12-22-23(13-17)26-24(25-22)21-14-20(21)16-7-3-2-4-8-16/h2-13,20-21H,14H2,1H3,(H,25,26)
InChIKeyVMPOEYGVTGZJBG-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.70
Rot. Bonds4

About 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone

1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone (PubChem CID 141198527) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone
PubChem CID141198527
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20N2O/c1-15(27)18-9-5-6-10-19(18)17-11-12-22-23(13-17)26-24(25-22)21-14-20(21)16-7-3-2-4-8-16/h2-13,20-21H,14H2,1H3,(H,25,26)
InChIKeyVMPOEYGVTGZJBG-UHFFFAOYSA-N
XLogP5.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4030
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CID 35802
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2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-phenyl-
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CID 2386123
2-(1H-Benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
CID 2392375
2-(1H-Benzoimidazol-2-yl)-1-(4-chloro-phenyl)-ethanone
CID 4982645
(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
CID 687915

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone (CID 141198527) is 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccccc3)[nH]c2c1.
What is the InChIKey of 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone?
The InChIKey is VMPOEYGVTGZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-15(27)18-9-5-6-10-19(18)17-11-12-22-23(13-17)26-24(25-22)21-14-20(21)16-7-3-2-4-8-16/h2-13,20-21H,14H2,1H3,(H,25,26).
What are the key properties of 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone?
1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 141198527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).