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

C13H10ClN3 — CID 60978006

IUPAC4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
SMILESClc1cccc2[nH]c(Cc3ccncc3)nc12
InChIInChI=1S/C13H10ClN3/c14-10-2-1-3-11-13(10)17-12(16-11)8-9-4-6-15-7-5-9/h1-7H,8H2,(H,16,17)
InChIKeyYCQDNWBUGNGAOX-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.20
Rot. Bonds2

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

4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole (PubChem CID 60978006) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
PubChem CID60978006
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
SMILESClc1cccc2[nH]c(Cc3ccncc3)nc12
InChIInChI=1S/C13H10ClN3/c14-10-2-1-3-11-13(10)17-12(16-11)8-9-4-6-15-7-5-9/h1-7H,8H2,(H,16,17)
InChIKeyYCQDNWBUGNGAOX-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole (CID 60978006) is 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole is Clc1cccc2[nH]c(Cc3ccncc3)nc12.
What is the InChIKey of 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole?
The InChIKey is YCQDNWBUGNGAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-10-2-1-3-11-13(10)17-12(16-11)8-9-4-6-15-7-5-9/h1-7H,8H2,(H,16,17).
What are the key properties of 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole?
4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole has a molecular weight of 243.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 60978006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).