7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine

C24H32FN5O — CID 70989321

IUPAC7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine
SMILESCCCN(CCC)c1cc(N2CCOCC2)c(F)c2nc(Nc3cccc(C)c3)[nH]c12
InChIInChI=1S/C24H32FN5O/c1-4-9-29(10-5-2)20-16-19(30-11-13-31-14-12-30)21(25)23-22(20)27-24(28-23)26-18-8-6-7-17(3)15-18/h6-8,15-16H,4-5,9-14H2,1-3H3,(H2,26,27,28)
InChIKeyKLARLXBQEIZLNT-UHFFFAOYSA-N
MW425.55 g/mol
LogP5.22
Rot. Bonds8

About 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine

7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine (PubChem CID 70989321) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine.

Molecular Properties

Compound Name7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine
PubChem CID70989321
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine
SMILESCCCN(CCC)c1cc(N2CCOCC2)c(F)c2nc(Nc3cccc(C)c3)[nH]c12
InChIInChI=1S/C24H32FN5O/c1-4-9-29(10-5-2)20-16-19(30-11-13-31-14-12-30)21(25)23-22(20)27-24(28-23)26-18-8-6-7-17(3)15-18/h6-8,15-16H,4-5,9-14H2,1-3H3,(H2,26,27,28)
InChIKeyKLARLXBQEIZLNT-UHFFFAOYSA-N
XLogP5.22
TPSA56.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine?
The IUPAC name of 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine (CID 70989321) is 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine.
What is the SMILES notation for 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine?
The canonical SMILES for 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine is CCCN(CCC)c1cc(N2CCOCC2)c(F)c2nc(Nc3cccc(C)c3)[nH]c12.
What is the InChIKey of 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine?
The InChIKey is KLARLXBQEIZLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-4-9-29(10-5-2)20-16-19(30-11-13-31-14-12-30)21(25)23-22(20)27-24(28-23)26-18-8-6-7-17(3)15-18/h6-8,15-16H,4-5,9-14H2,1-3H3,(H2,26,27,28).
What are the key properties of 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine?
7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine has a molecular weight of 425.55 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N,4-N-dipropyl-3H-benzimidazole-2,4-diamine is sourced from PubChem (CID 70989321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).