1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one

C17H15BrN2O — CID 79755509

IUPAC1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCn1c(CC(=O)Cc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C17H15BrN2O/c1-20-16-5-3-2-4-15(16)19-17(20)11-14(21)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3
InChIKeyGIOUWDKGEXRGOP-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one

1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one (PubChem CID 79755509) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
PubChem CID79755509
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCn1c(CC(=O)Cc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C17H15BrN2O/c1-20-16-5-3-2-4-15(16)19-17(20)11-14(21)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3
InChIKeyGIOUWDKGEXRGOP-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 116575680
1-(1-methylbenzimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588576
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one (CID 79755509) is 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one is Cn1c(CC(=O)Cc2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The InChIKey is GIOUWDKGEXRGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-20-16-5-3-2-4-15(16)19-17(20)11-14(21)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one has a molecular weight of 343.22 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 79755509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).