[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone

C25H32N4O3 — CID 16668712

IUPAC[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
SMILESCc1cc2nc(C3CCCCN3C(=O)c3oc(CN4CCOCC4)cc3C)[nH]c2cc1C
InChIInChI=1S/C25H32N4O3/c1-16-13-20-21(14-17(16)2)27-24(26-20)22-6-4-5-7-29(22)25(30)23-18(3)12-19(32-23)15-28-8-10-31-11-9-28/h12-14,22H,4-11,15H2,1-3H3,(H,26,27)
InChIKeyVETQZPJUHLROTP-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.28
Rot. Bonds4

About [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone

[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone (PubChem CID 16668712) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
PubChem CID16668712
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
SMILESCc1cc2nc(C3CCCCN3C(=O)c3oc(CN4CCOCC4)cc3C)[nH]c2cc1C
InChIInChI=1S/C25H32N4O3/c1-16-13-20-21(14-17(16)2)27-24(26-20)22-6-4-5-7-29(22)25(30)23-18(3)12-19(32-23)15-28-8-10-31-11-9-28/h12-14,22H,4-11,15H2,1-3H3,(H,26,27)
InChIKeyVETQZPJUHLROTP-UHFFFAOYSA-N
XLogP4.28
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone (CID 16668712) is [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone is Cc1cc2nc(C3CCCCN3C(=O)c3oc(CN4CCOCC4)cc3C)[nH]c2cc1C.
What is the InChIKey of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The InChIKey is VETQZPJUHLROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16-13-20-21(14-17(16)2)27-24(26-20)22-6-4-5-7-29(22)25(30)23-18(3)12-19(32-23)15-28-8-10-31-11-9-28/h12-14,22H,4-11,15H2,1-3H3,(H,26,27).
What are the key properties of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone has a molecular weight of 436.56 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 16668712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).