2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide

C25H32N4O — CID 175377923

IUPAC2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc[nH]2)nc2ccccc21
InChIInChI=1S/C25H32N4O/c26-24(30)25(18-10-3-1-4-11-18,19-12-5-2-6-13-19)29-22-16-8-7-14-20(22)28-23(29)21-15-9-17-27-21/h7-9,14-19,27H,1-6,10-13H2,(H2,26,30)
InChIKeyDDSYOWGXCQQNDR-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.37
Rot. Bonds5

About 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 175377923) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
PubChem CID175377923
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc[nH]2)nc2ccccc21
InChIInChI=1S/C25H32N4O/c26-24(30)25(18-10-3-1-4-11-18,19-12-5-2-6-13-19)29-22-16-8-7-14-20(22)28-23(29)21-15-9-17-27-21/h7-9,14-19,27H,1-6,10-13H2,(H2,26,30)
InChIKeyDDSYOWGXCQQNDR-UHFFFAOYSA-N
XLogP5.37
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide (CID 175377923) is 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide is NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc[nH]2)nc2ccccc21.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is DDSYOWGXCQQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c26-24(30)25(18-10-3-1-4-11-18,19-12-5-2-6-13-19)29-22-16-8-7-14-20(22)28-23(29)21-15-9-17-27-21/h7-9,14-19,27H,1-6,10-13H2,(H2,26,30).
What are the key properties of 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 404.56 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175377923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).