7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile

C8H3BrClN3 — CID 130779161

IUPAC7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile
SMILESN#Cc1ccc(Br)c2nc(Cl)[nH]c12
InChIInChI=1S/C8H3BrClN3/c9-5-2-1-4(3-11)6-7(5)13-8(10)12-6/h1-2H,(H,12,13)
InChIKeySXDPOFLNYRKDJU-UHFFFAOYSA-N
MW256.49 g/mol
LogP2.85
Rot. Bonds

About 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile

7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile (PubChem CID 130779161) has the molecular formula C8H3BrClN3 and a molecular weight of 256.49 g/mol. Its IUPAC name is 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile
PubChem CID130779161
Molecular FormulaC8H3BrClN3
Molecular Weight256.49 g/mol
Exact Mass254.92
IUPAC Name7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile
SMILESN#Cc1ccc(Br)c2nc(Cl)[nH]c12
InChIInChI=1S/C8H3BrClN3/c9-5-2-1-4(3-11)6-7(5)13-8(10)12-6/h1-2H,(H,12,13)
InChIKeySXDPOFLNYRKDJU-UHFFFAOYSA-N
XLogP2.85
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromo-2,3-dichlorophenyl)-2-sulfanylidene-3H-benzimidazole-4-carbonitrile
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2-(6-bromo-2-chloro-3-cyanoanilino)ethene-1,1,2-tricarbonitrile
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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile?
The IUPAC name of 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile (CID 130779161) is 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile?
The canonical SMILES for 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile is N#Cc1ccc(Br)c2nc(Cl)[nH]c12.
What is the InChIKey of 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile?
The InChIKey is SXDPOFLNYRKDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClN3/c9-5-2-1-4(3-11)6-7(5)13-8(10)12-6/h1-2H,(H,12,13).
What are the key properties of 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile?
7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile has a molecular weight of 256.49 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 130779161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).