4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole

C12H7BrClN3 — CID 114271455

IUPAC4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
SMILESClc1cnccc1-c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C12H7BrClN3/c13-8-2-1-3-10-11(8)17-12(16-10)7-4-5-15-6-9(7)14/h1-6H,(H,16,17)
InChIKeyAOVKBBVJPNOJCR-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.04
Rot. Bonds1

About 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole

4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole (PubChem CID 114271455) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
PubChem CID114271455
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
SMILESClc1cnccc1-c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C12H7BrClN3/c13-8-2-1-3-10-11(8)17-12(16-10)7-4-5-15-6-9(7)14/h1-6H,(H,16,17)
InChIKeyAOVKBBVJPNOJCR-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile
CID 104720679
4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
CID 114271471
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 114271483
2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol
CID 136951440
2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 91686412
4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 136951446
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922109
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole
CID 58038261
4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60978264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole?
The IUPAC name of 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole (CID 114271455) is 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole is Clc1cnccc1-c1nc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole?
The InChIKey is AOVKBBVJPNOJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-8-2-1-3-10-11(8)17-12(16-10)7-4-5-15-6-9(7)14/h1-6H,(H,16,17).
What are the key properties of 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole?
4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole has a molecular weight of 308.57 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 114271455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).