2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole

C18H12ClN3 — CID 129162881

IUPAC2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
SMILESClc1cccnc1-c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H12ClN3/c19-14-8-5-11-20-17(14)12-6-1-2-7-13(12)18-21-15-9-3-4-10-16(15)22-18/h1-11H,(H,21,22)
InChIKeyXDUAFPSRZIATCC-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.95
Rot. Bonds2

About 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole

2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole (PubChem CID 129162881) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
PubChem CID129162881
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
SMILESClc1cccnc1-c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H12ClN3/c19-14-8-5-11-20-17(14)12-6-1-2-7-13(12)18-21-15-9-3-4-10-16(15)22-18/h1-11H,(H,21,22)
InChIKeyXDUAFPSRZIATCC-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole (CID 129162881) is 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole is Clc1cccnc1-c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole?
The InChIKey is XDUAFPSRZIATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-14-8-5-11-20-17(14)12-6-1-2-7-13(12)18-21-15-9-3-4-10-16(15)22-18/h1-11H,(H,21,22).
What are the key properties of 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole?
2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole has a molecular weight of 305.77 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 129162881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).