2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone

C15H18ClN3O — CID 66489703

IUPAC2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone
SMILESCC1CCN(c2nc3ccccc3n2C(=O)CCl)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-6-8-18(9-7-11)15-17-12-4-2-3-5-13(12)19(15)14(20)10-16/h2-5,11H,6-10H2,1H3
InChIKeyKKEANKAFPGDCHN-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone

2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone (PubChem CID 66489703) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone
PubChem CID66489703
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone
SMILESCC1CCN(c2nc3ccccc3n2C(=O)CCl)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-6-8-18(9-7-11)15-17-12-4-2-3-5-13(12)19(15)14(20)10-16/h2-5,11H,6-10H2,1H3
InChIKeyKKEANKAFPGDCHN-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone (CID 66489703) is 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone is CC1CCN(c2nc3ccccc3n2C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone?
The InChIKey is KKEANKAFPGDCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-6-8-18(9-7-11)15-17-12-4-2-3-5-13(12)19(15)14(20)10-16/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone?
2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone has a molecular weight of 291.78 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 66489703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).