2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole

C19H21ClN4 — CID 123584150

IUPAC2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
SMILESCC1CCCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1
InChIInChI=1S/C19H21ClN4/c1-13-6-5-9-24(12-13)18-10-14(15(20)11-21-18)19-22-16-7-3-4-8-17(16)23(19)2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3
InChIKeyZFLUEHTVCICUNH-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.53
Rot. Bonds2

About 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole

2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (PubChem CID 123584150) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
PubChem CID123584150
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
SMILESCC1CCCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1
InChIInChI=1S/C19H21ClN4/c1-13-6-5-9-24(12-13)18-10-14(15(20)11-21-18)19-22-16-7-3-4-8-17(16)23(19)2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3
InChIKeyZFLUEHTVCICUNH-UHFFFAOYSA-N
XLogP4.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.53
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-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The IUPAC name of 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (CID 123584150) is 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is CC1CCCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1.
What is the InChIKey of 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The InChIKey is ZFLUEHTVCICUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-13-6-5-9-24(12-13)18-10-14(15(20)11-21-18)19-22-16-7-3-4-8-17(16)23(19)2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole has a molecular weight of 340.86 g/mol, XLogP of 4.53, 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-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is sourced from PubChem (CID 123584150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).