(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone

C15H11BrN2O — CID 791448

IUPAC(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
SMILESCc1nc2ccccc2n1C(=O)c1ccccc1Br
InChIInChI=1S/C15H11BrN2O/c1-10-17-13-8-4-5-9-14(13)18(10)15(19)11-6-2-3-7-12(11)16/h2-9H,1H3
InChIKeyMDMAPZQCPZFZJS-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.80
Rot. Bonds1

About (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone

(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone (PubChem CID 791448) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
PubChem CID791448
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
SMILESCc1nc2ccccc2n1C(=O)c1ccccc1Br
InChIInChI=1S/C15H11BrN2O/c1-10-17-13-8-4-5-9-14(13)18(10)15(19)11-6-2-3-7-12(11)16/h2-9H,1H3
InChIKeyMDMAPZQCPZFZJS-UHFFFAOYSA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone (CID 791448) is (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone is Cc1nc2ccccc2n1C(=O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone?
The InChIKey is MDMAPZQCPZFZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-17-13-8-4-5-9-14(13)18(10)15(19)11-6-2-3-7-12(11)16/h2-9H,1H3.
What are the key properties of (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone?
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone has a molecular weight of 315.17 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone is sourced from PubChem (CID 791448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).