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

C22H26N4O3 — CID 21428971

IUPAC4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-18-8-6-16(7-9-18)21(27)23-12-15-25-13-10-17(11-14-25)26-20-5-3-2-4-19(20)24-22(26)28/h2-9,17H,10-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyXVQGXYKRBOLGFX-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.41
Rot. Bonds6

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

4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 21428971) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID21428971
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-18-8-6-16(7-9-18)21(27)23-12-15-25-13-10-17(11-14-25)26-20-5-3-2-4-19(20)24-22(26)28/h2-9,17H,10-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyXVQGXYKRBOLGFX-UHFFFAOYSA-N
XLogP2.41
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 21428971) is 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is XVQGXYKRBOLGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-18-8-6-16(7-9-18)21(27)23-12-15-25-13-10-17(11-14-25)26-20-5-3-2-4-19(20)24-22(26)28/h2-9,17H,10-15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 21428971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).