1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine

C19H17F5N4 — CID 175485497

IUPAC1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
SMILESNC1CN(c2nc3cc(F)c(F)cc3n2Cc2ccc(F)cc2F)CCC1F
InChIInChI=1S/C19H17F5N4/c20-11-2-1-10(13(22)5-11)8-28-18-7-15(24)14(23)6-17(18)26-19(28)27-4-3-12(21)16(25)9-27/h1-2,5-7,12,16H,3-4,8-9,25H2
InChIKeyQHNICDYPOMWQEF-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.52
Rot. Bonds3

About 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine

1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine (PubChem CID 175485497) has the molecular formula C19H17F5N4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
PubChem CID175485497
Molecular FormulaC19H17F5N4
Molecular Weight396.36 g/mol
Exact Mass396.14
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
SMILESNC1CN(c2nc3cc(F)c(F)cc3n2Cc2ccc(F)cc2F)CCC1F
InChIInChI=1S/C19H17F5N4/c20-11-2-1-10(13(22)5-11)8-28-18-7-15(24)14(23)6-17(18)26-19(28)27-4-3-12(21)16(25)9-27/h1-2,5-7,12,16H,3-4,8-9,25H2
InChIKeyQHNICDYPOMWQEF-UHFFFAOYSA-N
XLogP3.52
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-[(5-chloropyrimidin-2-yl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 175561709
1-[1-[[5-chloro-2-(trifluoromethoxy)phenyl]methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 175485549
(3R)-1-[5,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 175485733
2-[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-5,6-difluorobenzimidazol-1-yl]acetic acid
CID 154635712
(3R)-1-[5,6-difluoro-1-[(5-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 175485582
(3R,4R)-1-[5,6-difluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 154635606
(3R)-1-[5,6-difluoro-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 175485657
(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-5-fluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 162390756
(3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine
CID 175485633
(3R)-4-fluoro-1-[5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 175485741
(3R,4R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine
CID 150501279
2-[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-5,6-difluorobenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 154635520

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine (CID 175485497) is 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine is NC1CN(c2nc3cc(F)c(F)cc3n2Cc2ccc(F)cc2F)CCC1F.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
The InChIKey is QHNICDYPOMWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4/c20-11-2-1-10(13(22)5-11)8-28-18-7-15(24)14(23)6-17(18)26-19(28)27-4-3-12(21)16(25)9-27/h1-2,5-7,12,16H,3-4,8-9,25H2.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine has a molecular weight of 396.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine is sourced from PubChem (CID 175485497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).