[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone

C26H25N3O2 — CID 44565808

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-31-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-20(15-17-29)25-27-23-4-2-3-5-24(23)28-25/h2-13,20H,14-17H2,1H3,(H,27,28)
InChIKeyPYYOXPURQWCASI-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.26
Rot. Bonds4

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone (PubChem CID 44565808) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone
PubChem CID44565808
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-31-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-20(15-17-29)25-27-23-4-2-3-5-24(23)28-25/h2-13,20H,14-17H2,1H3,(H,27,28)
InChIKeyPYYOXPURQWCASI-UHFFFAOYSA-N
XLogP5.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mchb-1
CID 44561533
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2,2,2-trifluoro-1-[4-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 46940004
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-(5-(1H-benzo[d]imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 68778068
(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(2,5-dimethoxy-phenyl)-acrylamide
CID 1181186

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone (CID 44565808) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
The InChIKey is PYYOXPURQWCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-31-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-20(15-17-29)25-27-23-4-2-3-5-24(23)28-25/h2-13,20H,14-17H2,1H3,(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone has a molecular weight of 411.51 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 44565808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).