3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C24H30N4O5 — CID 25105703

IUPAC3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N4O5/c1-31-20-14-16(15-21(32-2)22(20)33-3)23(29)25-10-13-27-11-8-17(9-12-27)28-19-7-5-4-6-18(19)26-24(28)30/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyWNYCYGCNORZQPH-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.42
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 25105703) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID25105703
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N4O5/c1-31-20-14-16(15-21(32-2)22(20)33-3)23(29)25-10-13-27-11-8-17(9-12-27)28-19-7-5-4-6-18(19)26-24(28)30/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyWNYCYGCNORZQPH-UHFFFAOYSA-N
XLogP2.42
TPSA97.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 25105703) is 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is COc1cc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is WNYCYGCNORZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-31-20-14-16(15-21(32-2)22(20)33-3)23(29)25-10-13-27-11-8-17(9-12-27)28-19-7-5-4-6-18(19)26-24(28)30/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 454.53 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 25105703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).