2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone

C14H14N4O — CID 82896028

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
SMILESCn1cncc1C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H14N4O/c1-17-9-15-8-12(17)13(19)7-14-16-10-5-3-4-6-11(10)18(14)2/h3-6,8-9H,7H2,1-2H3
InChIKeyBDCNJGRLTNYITB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.73
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone

2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone (PubChem CID 82896028) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
PubChem CID82896028
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
SMILESCn1cncc1C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H14N4O/c1-17-9-15-8-12(17)13(19)7-14-16-10-5-3-4-6-11(10)18(14)2/h3-6,8-9H,7H2,1-2H3
InChIKeyBDCNJGRLTNYITB-UHFFFAOYSA-N
XLogP1.73
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79783281
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone (CID 82896028) is 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone is Cn1cncc1C(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone?
The InChIKey is BDCNJGRLTNYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17-9-15-8-12(17)13(19)7-14-16-10-5-3-4-6-11(10)18(14)2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone?
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone has a molecular weight of 254.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 82896028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).