[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone

C30H33N3O — CID 155598851

IUPAC[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C30H33N3O/c34-30(32-18-7-2-8-19-32)24-16-17-28-27(20-24)31-29(33(28)21-22-10-3-1-4-11-22)26-15-9-13-23-12-5-6-14-25(23)26/h5-6,9,12-17,20,22H,1-4,7-8,10-11,18-19,21H2
InChIKeyLCJFZDCWJOAWRI-UHFFFAOYSA-N
MW451.61 g/mol
LogP7.06
Rot. Bonds4

About [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone

[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 155598851) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID155598851
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C30H33N3O/c34-30(32-18-7-2-8-19-32)24-16-17-28-27(20-24)31-29(33(28)21-22-10-3-1-4-11-22)26-15-9-13-23-12-5-6-14-25(23)26/h5-6,9,12-17,20,22H,1-4,7-8,10-11,18-19,21H2
InChIKeyLCJFZDCWJOAWRI-UHFFFAOYSA-N
XLogP7.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone (CID 155598851) is [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone is O=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2CC1CCCCC1)N1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is LCJFZDCWJOAWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c34-30(32-18-7-2-8-19-32)24-16-17-28-27(20-24)31-29(33(28)21-22-10-3-1-4-11-22)26-15-9-13-23-12-5-6-14-25(23)26/h5-6,9,12-17,20,22H,1-4,7-8,10-11,18-19,21H2.
What are the key properties of [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 451.61 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 155598851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).