1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole

C20H23N3 — CID 21193036

IUPAC1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3/c1-16-21-19-9-5-6-10-20(19)23(16)18-11-13-22(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyIGVOCDSECZGQMP-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.18
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole

1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole (PubChem CID 21193036) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
PubChem CID21193036
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3/c1-16-21-19-9-5-6-10-20(19)23(16)18-11-13-22(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyIGVOCDSECZGQMP-UHFFFAOYSA-N
XLogP4.18
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole (CID 21193036) is 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole is Cc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole?
The InChIKey is IGVOCDSECZGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-16-21-19-9-5-6-10-20(19)23(16)18-11-13-22(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole?
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole has a molecular weight of 305.43 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole is sourced from PubChem (CID 21193036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).