5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole

C16H14ClFN4 — CID 130271317

IUPAC5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc(N4CCCC4)nc3)nc2cc1Cl
InChIInChI=1S/C16H14ClFN4/c17-11-7-13-14(8-12(11)18)21-16(20-13)10-3-4-15(19-9-10)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2,(H,20,21)
InChIKeyKBGXQSNYUQUJEX-UHFFFAOYSA-N
MW316.77 g/mol
LogP4.02
Rot. Bonds2

About 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole

5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole (PubChem CID 130271317) has the molecular formula C16H14ClFN4 and a molecular weight of 316.77 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
PubChem CID130271317
Molecular FormulaC16H14ClFN4
Molecular Weight316.77 g/mol
Exact Mass316.09
IUPAC Name5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc(N4CCCC4)nc3)nc2cc1Cl
InChIInChI=1S/C16H14ClFN4/c17-11-7-13-14(8-12(11)18)21-16(20-13)10-3-4-15(19-9-10)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2,(H,20,21)
InChIKeyKBGXQSNYUQUJEX-UHFFFAOYSA-N
XLogP4.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole (CID 130271317) is 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole is Fc1cc2[nH]c(-c3ccc(N4CCCC4)nc3)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is KBGXQSNYUQUJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4/c17-11-7-13-14(8-12(11)18)21-16(20-13)10-3-4-15(19-9-10)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2,(H,20,21).
What are the key properties of 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole has a molecular weight of 316.77 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 130271317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).