1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide

C23H34N4O — CID 5113634

IUPAC1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)ncn3C2CCCC2)C1
InChIInChI=1S/C23H34N4O/c1-17-12-18(2)15-26(14-17)11-5-10-24-23(28)19-8-9-22-21(13-19)25-16-27(22)20-6-3-4-7-20/h8-9,13,16-18,20H,3-7,10-12,14-15H2,1-2H3,(H,24,28)
InChIKeyMXDHDTCJBCRPJV-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.25
Rot. Bonds6

About 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide

1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide (PubChem CID 5113634) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide
PubChem CID5113634
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)ncn3C2CCCC2)C1
InChIInChI=1S/C23H34N4O/c1-17-12-18(2)15-26(14-17)11-5-10-24-23(28)19-8-9-22-21(13-19)25-16-27(22)20-6-3-4-7-20/h8-9,13,16-18,20H,3-7,10-12,14-15H2,1-2H3,(H,24,28)
InChIKeyMXDHDTCJBCRPJV-UHFFFAOYSA-N
XLogP4.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide (CID 5113634) is 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide is CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)ncn3C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide?
The InChIKey is MXDHDTCJBCRPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17-12-18(2)15-26(14-17)11-5-10-24-23(28)19-8-9-22-21(13-19)25-16-27(22)20-6-3-4-7-20/h8-9,13,16-18,20H,3-7,10-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide?
1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 5113634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).