2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone

C16H14N2O — CID 2386123

IUPAC2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15(19)10-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDHTWLFZXAYBQAC-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.30
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone

2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone (PubChem CID 2386123) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
PubChem CID2386123
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15(19)10-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDHTWLFZXAYBQAC-UHFFFAOYSA-N
XLogP3.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone (CID 2386123) is 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is DHTWLFZXAYBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15(19)10-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone?
2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 2386123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).