4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole

C14H11Cl2N3 — CID 104837373

IUPAC4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1Cc1ccccn1
InChIInChI=1S/C14H11Cl2N3/c15-8-13-18-14-11(16)5-3-6-12(14)19(13)9-10-4-1-2-7-17-10/h1-7H,8-9H2
InChIKeyFNHLMITZSKEDNO-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.87
Rot. Bonds3

About 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole

4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole (PubChem CID 104837373) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole
PubChem CID104837373
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1Cc1ccccn1
InChIInChI=1S/C14H11Cl2N3/c15-8-13-18-14-11(16)5-3-6-12(14)19(13)9-10-4-1-2-7-17-10/h1-7H,8-9H2
InChIKeyFNHLMITZSKEDNO-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.87
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

4-chloro-2-(chloromethyl)-1-(2-pyridin-2-ylethyl)benzimidazole
CID 104837353
4-chloro-2-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113459146
2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 60789969
4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 104837341
4-chloro-2-(chloromethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 104837726
1-butyl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837320
4-chloro-2-(chloromethyl)-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
CID 113459143
4-chloro-2-(chloromethyl)-1-[(3-methylthiophen-2-yl)methyl]benzimidazole
CID 104838484
2-[[4-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375946
4-chloro-2-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 104838062
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 104837307
4-[[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 104838151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole (CID 104837373) is 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole is ClCc1nc2c(Cl)cccc2n1Cc1ccccn1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole?
The InChIKey is FNHLMITZSKEDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-8-13-18-14-11(16)5-3-6-12(14)19(13)9-10-4-1-2-7-17-10/h1-7H,8-9H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole?
4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole has a molecular weight of 292.17 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 104837373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).