2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine

C23H30FN5 — CID 68657960

IUPAC2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
SMILESCc1c(F)ccc2[nH]c(-c3ccc(CC(CN)CC4CCN(C)CC4)nc3)nc12
InChIInChI=1S/C23H30FN5/c1-15-20(24)5-6-21-22(15)28-23(27-21)18-3-4-19(26-14-18)12-17(13-25)11-16-7-9-29(2)10-8-16/h3-6,14,16-17H,7-13,25H2,1-2H3,(H,27,28)
InChIKeyVKDOXSXZFLGRHS-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.92
Rot. Bonds6

About 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine

2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine (PubChem CID 68657960) has the molecular formula C23H30FN5 and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
PubChem CID68657960
Molecular FormulaC23H30FN5
Molecular Weight395.53 g/mol
Exact Mass395.25
IUPAC Name2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
SMILESCc1c(F)ccc2[nH]c(-c3ccc(CC(CN)CC4CCN(C)CC4)nc3)nc12
InChIInChI=1S/C23H30FN5/c1-15-20(24)5-6-21-22(15)28-23(27-21)18-3-4-19(26-14-18)12-17(13-25)11-16-7-9-29(2)10-8-16/h3-6,14,16-17H,7-13,25H2,1-2H3,(H,27,28)
InChIKeyVKDOXSXZFLGRHS-UHFFFAOYSA-N
XLogP3.92
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine with MolForge

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Related Compounds

5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine
CID 24752045
3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
CID 68906970
6-cyclopropyl-N-[(5-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846901
2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-fluoro-4-methyl-1H-benzimidazole
CID 11395949
5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole
CID 42640591
5-tert-butyl-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole
CID 59812220
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
CID 112556560
5-fluoro-4-methyl-2-[2-methyl-4-[3-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)propoxy]phenyl]-1H-benzimidazole
CID 46890675
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole
CID 42638420
6-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846826
N-[3-[3-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1,4-dimethylpiperidin-4-yl]propyl]pyrimidin-2-amine
CID 68831611

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
The IUPAC name of 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine (CID 68657960) is 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine.
What is the SMILES notation for 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
The canonical SMILES for 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine is Cc1c(F)ccc2[nH]c(-c3ccc(CC(CN)CC4CCN(C)CC4)nc3)nc12.
What is the InChIKey of 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
The InChIKey is VKDOXSXZFLGRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5/c1-15-20(24)5-6-21-22(15)28-23(27-21)18-3-4-19(26-14-18)12-17(13-25)11-16-7-9-29(2)10-8-16/h3-6,14,16-17H,7-13,25H2,1-2H3,(H,27,28).
What are the key properties of 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine has a molecular weight of 395.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine is sourced from PubChem (CID 68657960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).