5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole

C19H19F2N3 — CID 82149802

IUPAC5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESFc1cc2nc(-c3ccccc3)n(CC3CCCNC3)c2cc1F
InChIInChI=1S/C19H19F2N3/c20-15-9-17-18(10-16(15)21)24(12-13-5-4-8-22-11-13)19(23-17)14-6-2-1-3-7-14/h1-3,6-7,9-10,13,22H,4-5,8,11-12H2
InChIKeyGSIQMNINCXTZPN-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.98
Rot. Bonds3

About 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole

5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 82149802) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
PubChem CID82149802
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESFc1cc2nc(-c3ccccc3)n(CC3CCCNC3)c2cc1F
InChIInChI=1S/C19H19F2N3/c20-15-9-17-18(10-16(15)21)24(12-13-5-4-8-22-11-13)19(23-17)14-6-2-1-3-7-14/h1-3,6-7,9-10,13,22H,4-5,8,11-12H2
InChIKeyGSIQMNINCXTZPN-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 82151112
2-(3-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 82151111
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149776
6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 23631195
2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
CID 82149737
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
[(3R)-3-[[5-bromo-6-fluoro-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579603

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole (CID 82149802) is 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole is Fc1cc2nc(-c3ccccc3)n(CC3CCCNC3)c2cc1F.
What is the InChIKey of 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is GSIQMNINCXTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3/c20-15-9-17-18(10-16(15)21)24(12-13-5-4-8-22-11-13)19(23-17)14-6-2-1-3-7-14/h1-3,6-7,9-10,13,22H,4-5,8,11-12H2.
What are the key properties of 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole?
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 327.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 82149802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).