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

C25H29N3O — CID 44565826

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
SMILESO=C(C1CCC(c2ccccc2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H29N3O/c29-25(21-12-10-19(11-13-21)18-6-2-1-3-7-18)28-16-14-20(15-17-28)24-26-22-8-4-5-9-23(22)27-24/h1-9,19-21H,10-17H2,(H,26,27)
InChIKeyRJXRMGQTHWHLCZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.24
Rot. Bonds3

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

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone (PubChem CID 44565826) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
PubChem CID44565826
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
SMILESO=C(C1CCC(c2ccccc2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H29N3O/c29-25(21-12-10-19(11-13-21)18-6-2-1-3-7-18)28-16-14-20(15-17-28)24-26-22-8-4-5-9-23(22)27-24/h1-9,19-21H,10-17H2,(H,26,27)
InChIKeyRJXRMGQTHWHLCZ-UHFFFAOYSA-N
XLogP5.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.24
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]-(4-phenylcyclohexyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone (CID 44565826) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone is O=C(C1CCC(c2ccccc2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The InChIKey is RJXRMGQTHWHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-25(21-12-10-19(11-13-21)18-6-2-1-3-7-18)28-16-14-20(15-17-28)24-26-22-8-4-5-9-23(22)27-24/h1-9,19-21H,10-17H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone has a molecular weight of 387.53 g/mol, XLogP of 5.24, 3 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]-(4-phenylcyclohexyl)methanone is sourced from PubChem (CID 44565826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).