[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone

C27H26FN3O3 — CID 155605913

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H26FN3O3/c28-22-5-3-4-18(14-22)17-34-25-9-8-20(15-21(25)16-32)27(33)31-12-10-19(11-13-31)26-29-23-6-1-2-7-24(23)30-26/h1-9,14-15,19,32H,10-13,16-17H2,(H,29,30)
InChIKeyDXLMQAUGDSIFQH-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.79
Rot. Bonds6

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone (PubChem CID 155605913) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone
PubChem CID155605913
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H26FN3O3/c28-22-5-3-4-18(14-22)17-34-25-9-8-20(15-21(25)16-32)27(33)31-12-10-19(11-13-31)26-29-23-6-1-2-7-24(23)30-26/h1-9,14-15,19,32H,10-13,16-17H2,(H,29,30)
InChIKeyDXLMQAUGDSIFQH-UHFFFAOYSA-N
XLogP4.79
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
Phenprocoumon, Benzimid-CH2NHCO deriv.
CID 54689035
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 44563190
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
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
N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
CID 2583506
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
2-(4-(2-(1-acetylpiperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11495159
2-(4-((1-benzoylpiperidin-4-yl)methoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11496192
2-(4-(2-(1-benzoylpiperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11503709
2-(4-(piperidin-3-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11508557

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone (CID 155605913) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone is O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone?
The InChIKey is DXLMQAUGDSIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c28-22-5-3-4-18(14-22)17-34-25-9-8-20(15-21(25)16-32)27(33)31-12-10-19(11-13-31)26-29-23-6-1-2-7-24(23)30-26/h1-9,14-15,19,32H,10-13,16-17H2,(H,29,30).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone has a molecular weight of 459.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 155605913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).