[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone

C19H18ClN3O — CID 1430052

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-3-4-14(12-15)19(24)23-10-8-13(9-11-23)18-21-16-6-1-2-7-17(16)22-18/h1-7,12-13H,8-11H2,(H,21,22)
InChIKeyUYABHGHMKPALKK-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.24
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 1430052) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
PubChem CID1430052
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-3-4-14(12-15)19(24)23-10-8-13(9-11-23)18-21-16-6-1-2-7-17(16)22-18/h1-7,12-13H,8-11H2,(H,21,22)
InChIKeyUYABHGHMKPALKK-UHFFFAOYSA-N
XLogP4.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone (CID 1430052) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is UYABHGHMKPALKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-5-3-4-14(12-15)19(24)23-10-8-13(9-11-23)18-21-16-6-1-2-7-17(16)22-18/h1-7,12-13H,8-11H2,(H,21,22).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 339.83 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 1430052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).