1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole

C28H31N3 — CID 58282592

IUPAC1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3/c1-22-29-27-14-8-9-15-28(27)31(22)25-16-19-30(20-17-25)21-18-26(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25-26H,16-21H2,1H3
InChIKeyXTBMGQICBMRHTA-UHFFFAOYSA-N
MW409.58 g/mol
LogP6.20
Rot. Bonds6

About 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole

1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole (PubChem CID 58282592) has the molecular formula C28H31N3 and a molecular weight of 409.58 g/mol. Its IUPAC name is 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole
PubChem CID58282592
Molecular FormulaC28H31N3
Molecular Weight409.58 g/mol
Exact Mass409.25
IUPAC Name1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3/c1-22-29-27-14-8-9-15-28(27)31(22)25-16-19-30(20-17-25)21-18-26(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25-26H,16-21H2,1H3
InChIKeyXTBMGQICBMRHTA-UHFFFAOYSA-N
XLogP6.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole?
The IUPAC name of 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole (CID 58282592) is 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole?
The canonical SMILES for 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole is Cc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole?
The InChIKey is XTBMGQICBMRHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3/c1-22-29-27-14-8-9-15-28(27)31(22)25-16-19-30(20-17-25)21-18-26(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25-26H,16-21H2,1H3.
What are the key properties of 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole?
1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole has a molecular weight of 409.58 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-methylbenzimidazole is sourced from PubChem (CID 58282592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).