2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C26H32N4O — CID 174799086

IUPAC2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C26H32N4O/c27-25(31)26(19-11-3-1-4-12-19,20-13-5-2-6-14-20)30-23-17-8-7-15-21(23)29-24(30)22-16-9-10-18-28-22/h7-10,15-20H,1-6,11-14H2,(H2,27,31)
InChIKeyPUMSPKIFIDGSBS-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.44
Rot. Bonds5

About 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 174799086) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID174799086
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C26H32N4O/c27-25(31)26(19-11-3-1-4-12-19,20-13-5-2-6-14-20)30-23-17-8-7-15-21(23)29-24(30)22-16-9-10-18-28-22/h7-10,15-20H,1-6,11-14H2,(H2,27,31)
InChIKeyPUMSPKIFIDGSBS-UHFFFAOYSA-N
XLogP5.44
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 174799086) is 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccccn2)nc2ccccc21.
What is the InChIKey of 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is PUMSPKIFIDGSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c27-25(31)26(19-11-3-1-4-12-19,20-13-5-2-6-14-20)30-23-17-8-7-15-21(23)29-24(30)22-16-9-10-18-28-22/h7-10,15-20H,1-6,11-14H2,(H2,27,31).
What are the key properties of 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 174799086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).