N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide

C25H32N4O3 — CID 72949593

IUPACN-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide
SMILESCC(C)n1c(C2CCCCC2)nc2cc(NC(=O)c3ccco3)c(N3CCOCC3)cc21
InChIInChI=1S/C25H32N4O3/c1-17(2)29-22-16-21(28-10-13-31-14-11-28)19(27-25(30)23-9-6-12-32-23)15-20(22)26-24(29)18-7-4-3-5-8-18/h6,9,12,15-18H,3-5,7-8,10-11,13-14H2,1-2H3,(H,27,30)
InChIKeyAVOMRCULFOTIII-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.35
Rot. Bonds5

About N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide

N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide (PubChem CID 72949593) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide
PubChem CID72949593
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide
SMILESCC(C)n1c(C2CCCCC2)nc2cc(NC(=O)c3ccco3)c(N3CCOCC3)cc21
InChIInChI=1S/C25H32N4O3/c1-17(2)29-22-16-21(28-10-13-31-14-11-28)19(27-25(30)23-9-6-12-32-23)15-20(22)26-24(29)18-7-4-3-5-8-18/h6,9,12,15-18H,3-5,7-8,10-11,13-14H2,1-2H3,(H,27,30)
InChIKeyAVOMRCULFOTIII-UHFFFAOYSA-N
XLogP5.35
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide (CID 72949593) is N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide is CC(C)n1c(C2CCCCC2)nc2cc(NC(=O)c3ccco3)c(N3CCOCC3)cc21.
What is the InChIKey of N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is AVOMRCULFOTIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)29-22-16-21(28-10-13-31-14-11-28)19(27-25(30)23-9-6-12-32-23)15-20(22)26-24(29)18-7-4-3-5-8-18/h6,9,12,15-18H,3-5,7-8,10-11,13-14H2,1-2H3,(H,27,30).
What are the key properties of N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide?
N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-morpholin-4-yl-1-propan-2-ylbenzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 72949593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).