N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide

C25H31N3O2 — CID 68694561

IUPACN,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C25H31N3O2/c29-25(26-19-12-5-2-6-13-19)23(18-10-3-1-4-11-18)28-21-15-8-7-14-20(21)27-24(28)22-16-9-17-30-22/h7-9,14-19,23H,1-6,10-13H2,(H,26,29)
InChIKeyLQYGSIAFEJTVDM-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.87
Rot. Bonds5

About N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 68694561) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
PubChem CID68694561
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C25H31N3O2/c29-25(26-19-12-5-2-6-13-19)23(18-10-3-1-4-11-18)28-21-15-8-7-14-20(21)27-24(28)22-16-9-17-30-22/h7-9,14-19,23H,1-6,10-13H2,(H,26,29)
InChIKeyLQYGSIAFEJTVDM-UHFFFAOYSA-N
XLogP5.87
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide (CID 68694561) is N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccco2)nc2ccccc21.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is LQYGSIAFEJTVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-25(26-19-12-5-2-6-13-19)23(18-10-3-1-4-11-18)28-21-15-8-7-14-20(21)27-24(28)22-16-9-17-30-22/h7-9,14-19,23H,1-6,10-13H2,(H,26,29).
What are the key properties of N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 68694561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).