6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole

C15H12BrN3 — CID 121458663

IUPAC6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole
SMILESBrc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
InChIInChI=1S/C15H12BrN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
InChIKeyRLSVGBIPVWPJAN-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.20
Rot. Bonds2

About 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole

6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole (PubChem CID 121458663) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole
PubChem CID121458663
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole
SMILESBrc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
InChIInChI=1S/C15H12BrN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
InChIKeyRLSVGBIPVWPJAN-UHFFFAOYSA-N
XLogP4.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-6-isocyano-2-pyridin-3-ylbenzimidazole
CID 123609407
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole
CID 56645365
5-bromo-2-[3-(chloromethyl)phenyl]-1-cyclopropylbenzimidazole
CID 60783497
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 136751399
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
CID 60837055
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
2-bromo-5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 107812844
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164679
6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine
CID 65347463

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole (CID 121458663) is 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole is Brc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1.
What is the InChIKey of 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The InChIKey is RLSVGBIPVWPJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2.
What are the key properties of 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole has a molecular weight of 314.19 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 121458663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).