2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide

C22H24N4O3 — CID 11524000

IUPAC2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(COc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-14(27)26-10-8-15(9-11-26)13-29-18-5-2-16(3-6-18)22-24-19-7-4-17(21(23)28)12-20(19)25-22/h2-7,12,15H,8-11,13H2,1H3,(H2,23,28)(H,24,25)
InChIKeyIKTGBDZWNJLCND-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.97
Rot. Bonds5

About 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11524000) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11524000
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(COc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-14(27)26-10-8-15(9-11-26)13-29-18-5-2-16(3-6-18)22-24-19-7-4-17(21(23)28)12-20(19)25-22/h2-7,12,15H,8-11,13H2,1H3,(H2,23,28)(H,24,25)
InChIKeyIKTGBDZWNJLCND-UHFFFAOYSA-N
XLogP2.97
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11524000) is 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is CC(=O)N1CCC(COc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is IKTGBDZWNJLCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(27)26-10-8-15(9-11-26)13-29-18-5-2-16(3-6-18)22-24-19-7-4-17(21(23)28)12-20(19)25-22/h2-7,12,15H,8-11,13H2,1H3,(H2,23,28)(H,24,25).
What are the key properties of 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-acetylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11524000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).