1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole

C35H43N5 — CID 15485902

IUPAC1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole
SMILESc1ccc(N2CCN(c3nc4ccccc4n3C3CCN(C4(c5ccccc5)CCCCCC4)CC3)CC2)cc1
InChIInChI=1S/C35H43N5/c1-2-12-22-35(21-11-1,29-13-5-3-6-14-29)39-23-19-31(20-24-39)40-33-18-10-9-17-32(33)36-34(40)38-27-25-37(26-28-38)30-15-7-4-8-16-30/h3-10,13-18,31H,1-2,11-12,19-28H2
InChIKeyGKTQUJHULZHCHA-UHFFFAOYSA-N
MW533.76 g/mol
LogP7.25
Rot. Bonds5

About 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole

1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole (PubChem CID 15485902) has the molecular formula C35H43N5 and a molecular weight of 533.76 g/mol. Its IUPAC name is 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole
PubChem CID15485902
Molecular FormulaC35H43N5
Molecular Weight533.76 g/mol
Exact Mass533.35
IUPAC Name1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole
SMILESc1ccc(N2CCN(c3nc4ccccc4n3C3CCN(C4(c5ccccc5)CCCCCC4)CC3)CC2)cc1
InChIInChI=1S/C35H43N5/c1-2-12-22-35(21-11-1,29-13-5-3-6-14-29)39-23-19-31(20-24-39)40-33-18-10-9-17-32(33)36-34(40)38-27-25-37(26-28-38)30-15-7-4-8-16-30/h3-10,13-18,31H,1-2,11-12,19-28H2
InChIKeyGKTQUJHULZHCHA-UHFFFAOYSA-N
XLogP7.25
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.76
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole (CID 15485902) is 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole is c1ccc(N2CCN(c3nc4ccccc4n3C3CCN(C4(c5ccccc5)CCCCCC4)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole?
The InChIKey is GKTQUJHULZHCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5/c1-2-12-22-35(21-11-1,29-13-5-3-6-14-29)39-23-19-31(20-24-39)40-33-18-10-9-17-32(33)36-34(40)38-27-25-37(26-28-38)30-15-7-4-8-16-30/h3-10,13-18,31H,1-2,11-12,19-28H2.
What are the key properties of 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole?
1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole has a molecular weight of 533.76 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 15485902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).