2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole

C18H17ClF2N4 — CID 67971570

IUPAC2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
SMILESCn1c(-c2cc(N3CCC(F)(F)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C18H17ClF2N4/c1-24-15-5-3-2-4-14(15)23-17(24)12-10-16(22-11-13(12)19)25-8-6-18(20,21)7-9-25/h2-5,10-11H,6-9H2,1H3
InChIKeyZHIVJNJMMKUNLV-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.52
Rot. Bonds2

About 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole

2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (PubChem CID 67971570) has the molecular formula C18H17ClF2N4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
PubChem CID67971570
Molecular FormulaC18H17ClF2N4
Molecular Weight362.81 g/mol
Exact Mass362.11
IUPAC Name2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
SMILESCn1c(-c2cc(N3CCC(F)(F)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C18H17ClF2N4/c1-24-15-5-3-2-4-14(15)23-17(24)12-10-16(22-11-13(12)19)25-8-6-18(20,21)7-9-25/h2-5,10-11H,6-9H2,1H3
InChIKeyZHIVJNJMMKUNLV-UHFFFAOYSA-N
XLogP4.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The IUPAC name of 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (CID 67971570) is 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is Cn1c(-c2cc(N3CCC(F)(F)CC3)ncc2Cl)nc2ccccc21.
What is the InChIKey of 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The InChIKey is ZHIVJNJMMKUNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4/c1-24-15-5-3-2-4-14(15)23-17(24)12-10-16(22-11-13(12)19)25-8-6-18(20,21)7-9-25/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole has a molecular weight of 362.81 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is sourced from PubChem (CID 67971570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).