6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide

C26H28N6O2S — CID 42272729

IUPAC6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide
SMILESCn1ccnc1SCCNC(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c12
InChIInChI=1S/C26H28N6O2S/c1-31-13-11-28-26(31)35-14-12-27-25(34)21-15-19(30-24(33)18-7-3-2-4-8-18)16-22-23(21)32(17-29-22)20-9-5-6-10-20/h2-4,7-8,11,13,15-17,20H,5-6,9-10,12,14H2,1H3,(H,27,34)(H,30,33)
InChIKeyHOGWPOIPSJQEGX-UHFFFAOYSA-N
MW488.62 g/mol
LogP4.66
Rot. Bonds8

About 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide

6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide (PubChem CID 42272729) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide
PubChem CID42272729
Molecular FormulaC26H28N6O2S
Molecular Weight488.62 g/mol
Exact Mass488.20
IUPAC Name6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide
SMILESCn1ccnc1SCCNC(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c12
InChIInChI=1S/C26H28N6O2S/c1-31-13-11-28-26(31)35-14-12-27-25(34)21-15-19(30-24(33)18-7-3-2-4-8-18)16-22-23(21)32(17-29-22)20-9-5-6-10-20/h2-4,7-8,11,13,15-17,20H,5-6,9-10,12,14H2,1H3,(H,27,34)(H,30,33)
InChIKeyHOGWPOIPSJQEGX-UHFFFAOYSA-N
XLogP4.66
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide (CID 42272729) is 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide is Cn1ccnc1SCCNC(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c12.
What is the InChIKey of 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide?
The InChIKey is HOGWPOIPSJQEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-31-13-11-28-26(31)35-14-12-27-25(34)21-15-19(30-24(33)18-7-3-2-4-8-18)16-22-23(21)32(17-29-22)20-9-5-6-10-20/h2-4,7-8,11,13,15-17,20H,5-6,9-10,12,14H2,1H3,(H,27,34)(H,30,33).
What are the key properties of 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide?
6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 42272729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).