5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole

C23H35N5 — CID 174768083

IUPAC5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole
SMILESc1c(C2CCNCC2)c(C2CCNCC2)cc2c1ncn2CC1CCNCC1
InChIInChI=1S/C23H35N5/c1-7-24-8-2-17(1)15-28-16-27-22-13-20(18-3-9-25-10-4-18)21(14-23(22)28)19-5-11-26-12-6-19/h13-14,16-19,24-26H,1-12,15H2
InChIKeyLPNLYHWQJNAPHR-UHFFFAOYSA-N
MW381.57 g/mol
LogP2.97
Rot. Bonds4

About 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole

5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 174768083) has the molecular formula C23H35N5 and a molecular weight of 381.57 g/mol. Its IUPAC name is 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole
PubChem CID174768083
Molecular FormulaC23H35N5
Molecular Weight381.57 g/mol
Exact Mass381.29
IUPAC Name5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole
SMILESc1c(C2CCNCC2)c(C2CCNCC2)cc2c1ncn2CC1CCNCC1
InChIInChI=1S/C23H35N5/c1-7-24-8-2-17(1)15-28-16-27-22-13-20(18-3-9-25-10-4-18)21(14-23(22)28)19-5-11-26-12-6-19/h13-14,16-19,24-26H,1-12,15H2
InChIKeyLPNLYHWQJNAPHR-UHFFFAOYSA-N
XLogP2.97
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(1-(1-Methylcyclooctyl)-4-piperidinyl)-2-((3R)-3-piperidinyl)-1H-benzimidazole
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Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
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Frequently Asked Questions

What is the IUPAC name of 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole (CID 174768083) is 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole is c1c(C2CCNCC2)c(C2CCNCC2)cc2c1ncn2CC1CCNCC1.
What is the InChIKey of 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is LPNLYHWQJNAPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5/c1-7-24-8-2-17(1)15-28-16-27-22-13-20(18-3-9-25-10-4-18)21(14-23(22)28)19-5-11-26-12-6-19/h13-14,16-19,24-26H,1-12,15H2.
What are the key properties of 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole?
5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 381.57 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 174768083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).