[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

C19H18ClN3O — CID 71307865

IUPAC[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2
InChIKeyXODGBXPZOXYLFN-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.30
Rot. Bonds2

About [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 71307865) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID71307865
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2
InChIKeyXODGBXPZOXYLFN-UHFFFAOYSA-N
XLogP4.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (CID 71307865) is [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is XODGBXPZOXYLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2.
What are the key properties of [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 339.83 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71307865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).