1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one

C11H11ClN2O — CID 158634585

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2O/c1-6(2)10(15)11-13-8-4-3-7(12)5-9(8)14-11/h3-6H,1-2H3,(H,13,14)
InChIKeySMASLRIBUINRLF-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.06
Rot. Bonds2

About 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one

1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one (PubChem CID 158634585) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one
PubChem CID158634585
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2O/c1-6(2)10(15)11-13-8-4-3-7(12)5-9(8)14-11/h3-6H,1-2H3,(H,13,14)
InChIKeySMASLRIBUINRLF-UHFFFAOYSA-N
XLogP3.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one (CID 158634585) is 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one?
The InChIKey is SMASLRIBUINRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-6(2)10(15)11-13-8-4-3-7(12)5-9(8)14-11/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one?
1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one has a molecular weight of 222.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 158634585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).