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

C21H15BrN2O — CID 5209385

IUPAC(2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone
SMILESO=C(c1ccccc1Br)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H15BrN2O/c22-17-11-5-4-10-16(17)21(25)24-19-13-7-6-12-18(19)23-20(24)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyMRFZFYKMKQMFAA-UHFFFAOYSA-N
MW391.27 g/mol
LogP5.08
Rot. Bonds3

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

(2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone (PubChem CID 5209385) has the molecular formula C21H15BrN2O and a molecular weight of 391.27 g/mol. Its IUPAC name is (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone.

Molecular Properties

Compound Name(2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone
PubChem CID5209385
Molecular FormulaC21H15BrN2O
Molecular Weight391.27 g/mol
Exact Mass390.04
IUPAC Name(2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone
SMILESO=C(c1ccccc1Br)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H15BrN2O/c22-17-11-5-4-10-16(17)21(25)24-19-13-7-6-12-18(19)23-20(24)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyMRFZFYKMKQMFAA-UHFFFAOYSA-N
XLogP5.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 23766408
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone
CID 5153789
5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate
CID 6955238
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784670
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-aminobenzimidazole-1-carboxylic acid
CID 20537592
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone
CID 122181300
2-[2-[(4-aminophenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 82024733

Frequently Asked Questions

What is the IUPAC name of (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone?
The IUPAC name of (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone (CID 5209385) is (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone.
What is the SMILES notation for (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone?
The canonical SMILES for (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone is O=C(c1ccccc1Br)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone?
The InChIKey is MRFZFYKMKQMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O/c22-17-11-5-4-10-16(17)21(25)24-19-13-7-6-12-18(19)23-20(24)14-15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone?
(2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone has a molecular weight of 391.27 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone is sourced from PubChem (CID 5209385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).