1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one

C11H11BrN2O — CID 83866935

IUPAC1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2c(Br)cccc2n1C
InChIInChI=1S/C11H11BrN2O/c1-7(15)6-10-13-11-8(12)4-3-5-9(11)14(10)2/h3-5H,6H2,1-2H3
InChIKeyFQYBHIIPBGXRQW-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.47
Rot. Bonds2

About 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one

1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one (PubChem CID 83866935) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
PubChem CID83866935
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2c(Br)cccc2n1C
InChIInChI=1S/C11H11BrN2O/c1-7(15)6-10-13-11-8(12)4-3-5-9(11)14(10)2/h3-5H,6H2,1-2H3
InChIKeyFQYBHIIPBGXRQW-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84644086
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
4-bromo-2-tert-butyl-1-methylbenzimidazole
CID 82379645
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
1-(3-bromo-1-methylindazol-4-yl)propan-2-one
CID 83902578
2-acetyl-8-bromo-3-methylquinazolin-4-one
CID 84812020
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one (CID 83866935) is 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one is CC(=O)Cc1nc2c(Br)cccc2n1C.
What is the InChIKey of 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one?
The InChIKey is FQYBHIIPBGXRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7(15)6-10-13-11-8(12)4-3-5-9(11)14(10)2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one?
1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 83866935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).