4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane

C21H26F2N4O2 — CID 143794006

IUPAC4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane
SMILESC.C=O.C=O.CC1CCN(c2ncccc2-c2nc3c(F)c(F)ccc3[nH]2)CC1
InChIInChI=1S/C18H18F2N4.2CH2O.CH4/c1-11-6-9-24(10-7-11)18-12(3-2-8-21-18)17-22-14-5-4-13(19)15(20)16(14)23-17;2*1-2;/h2-5,8,11H,6-7,9-10H2,1H3,(H,22,23);2*1H2;1H4
InChIKeyAPYUJFITRANQDB-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.41
Rot. Bonds2

About 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane

4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane (PubChem CID 143794006) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane.

Molecular Properties

Compound Name4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane
PubChem CID143794006
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC Name4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane
SMILESC.C=O.C=O.CC1CCN(c2ncccc2-c2nc3c(F)c(F)ccc3[nH]2)CC1
InChIInChI=1S/C18H18F2N4.2CH2O.CH4/c1-11-6-9-24(10-7-11)18-12(3-2-8-21-18)17-22-14-5-4-13(19)15(20)16(14)23-17;2*1-2;/h2-5,8,11H,6-7,9-10H2,1H3,(H,22,23);2*1H2;1H4
InChIKeyAPYUJFITRANQDB-UHFFFAOYSA-N
XLogP4.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine
CID 163265991
2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
CID 136926473
2-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 83881985
1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 112556438
5-[4-[(3S)-3-aminopyrrolidin-1-yl]-5-(4,5-difluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 139392794
3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one
CID 136966594
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole
CID 115911897
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane?
The IUPAC name of 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane (CID 143794006) is 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane.
What is the SMILES notation for 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane?
The canonical SMILES for 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane is C.C=O.C=O.CC1CCN(c2ncccc2-c2nc3c(F)c(F)ccc3[nH]2)CC1.
What is the InChIKey of 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane?
The InChIKey is APYUJFITRANQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4.2CH2O.CH4/c1-11-6-9-24(10-7-11)18-12(3-2-8-21-18)17-22-14-5-4-13(19)15(20)16(14)23-17;2*1-2;/h2-5,8,11H,6-7,9-10H2,1H3,(H,22,23);2*1H2;1H4.
What are the key properties of 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane?
4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane has a molecular weight of 404.46 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane is sourced from PubChem (CID 143794006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).