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

C21H22N4O3 — CID 11703577

IUPAC2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCCC(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)C1
InChIInChI=1S/C21H22N4O3/c1-13(26)25-10-2-3-17(12-25)28-16-7-4-14(5-8-16)21-23-18-9-6-15(20(22)27)11-19(18)24-21/h4-9,11,17H,2-3,10,12H2,1H3,(H2,22,27)(H,23,24)
InChIKeyFZAKXGDDGNQSFC-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.72
Rot. Bonds4

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

2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11703577) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11703577
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCCC(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)C1
InChIInChI=1S/C21H22N4O3/c1-13(26)25-10-2-3-17(12-25)28-16-7-4-14(5-8-16)21-23-18-9-6-15(20(22)27)11-19(18)24-21/h4-9,11,17H,2-3,10,12H2,1H3,(H2,22,27)(H,23,24)
InChIKeyFZAKXGDDGNQSFC-UHFFFAOYSA-N
XLogP2.72
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.72
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-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide (CID 11703577) is 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide is CC(=O)N1CCCC(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)C1.
What is the InChIKey of 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FZAKXGDDGNQSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(26)25-10-2-3-17(12-25)28-16-7-4-14(5-8-16)21-23-18-9-6-15(20(22)27)11-19(18)24-21/h4-9,11,17H,2-3,10,12H2,1H3,(H2,22,27)(H,23,24).
What are the key properties of 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-acetylpiperidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11703577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).