5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole

C24H31FN4O — CID 23650959

IUPAC5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole
SMILESCc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2c(C)c(F)ccc2[nH]1
InChIInChI=1S/C24H31FN4O/c1-16-15-26-22(30-13-5-4-6-18-9-11-29(3)12-10-18)14-19(16)24-27-21-8-7-20(25)17(2)23(21)28-24/h7-8,14-15,18H,4-6,9-13H2,1-3H3,(H,27,28)
InChIKeyIJLDVUHNWRAAKR-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.27
Rot. Bonds7

About 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole

5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole (PubChem CID 23650959) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole
PubChem CID23650959
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole
SMILESCc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2c(C)c(F)ccc2[nH]1
InChIInChI=1S/C24H31FN4O/c1-16-15-26-22(30-13-5-4-6-18-9-11-29(3)12-10-18)14-19(16)24-27-21-8-7-20(25)17(2)23(21)28-24/h7-8,14-15,18H,4-6,9-13H2,1-3H3,(H,27,28)
InChIKeyIJLDVUHNWRAAKR-UHFFFAOYSA-N
XLogP5.27
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5329405
CID 5329405
CID 9819053
CID 9819053
CID 24983496
CID 24983496
CID 59326984
CID 59326984
CID 135336101
CID 135336101
CID 10386848
CID 10386848
CID 16064750
CID 16064750
CID 24983495
CID 24983495
CID 44129168
CID 44129168
CID 45487323
CID 45487323
CID 45487347
CID 45487347
CID 45487354
CID 45487354

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole?
The IUPAC name of 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole (CID 23650959) is 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole is Cc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2c(C)c(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole?
The InChIKey is IJLDVUHNWRAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-16-15-26-22(30-13-5-4-6-18-9-11-29(3)12-10-18)14-19(16)24-27-21-8-7-20(25)17(2)23(21)28-24/h7-8,14-15,18H,4-6,9-13H2,1-3H3,(H,27,28).
What are the key properties of 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole?
5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole has a molecular weight of 410.54 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 23650959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).