5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole

C15H13BrClN3 — CID 43666644

IUPAC5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1Cc1cccnc1
InChIInChI=1S/C15H13BrClN3/c16-12-3-4-14-13(8-12)19-15(5-6-17)20(14)10-11-2-1-7-18-9-11/h1-4,7-9H,5-6,10H2
InChIKeyHDKOZZMAKYHSIJ-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.02
Rot. Bonds4

About 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole (PubChem CID 43666644) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
PubChem CID43666644
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1Cc1cccnc1
InChIInChI=1S/C15H13BrClN3/c16-12-3-4-14-13(8-12)19-15(5-6-17)20(14)10-11-2-1-7-18-9-11/h1-4,7-9H,5-6,10H2
InChIKeyHDKOZZMAKYHSIJ-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 116738645
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728
5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106897013
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
2-(2-chloroethyl)-4,6-difluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 115509074
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 65347065
4-[[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63823547
3-[[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]benzonitrile
CID 79273521
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole (CID 43666644) is 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole is ClCCc1nc2cc(Br)ccc2n1Cc1cccnc1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole?
The InChIKey is HDKOZZMAKYHSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c16-12-3-4-14-13(8-12)19-15(5-6-17)20(14)10-11-2-1-7-18-9-11/h1-4,7-9H,5-6,10H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole has a molecular weight of 350.65 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 43666644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).