4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide

C22H27FN4O — CID 120565984

IUPAC4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
SMILESCc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCC(C)N
InChIInChI=1S/C22H27FN4O/c1-13(2)27-20-9-7-17(23)12-19(20)26-22(27)16-6-8-18(14(3)11-16)25-21(28)10-5-15(4)24/h6-9,11-13,15H,5,10,24H2,1-4H3,(H,25,28)
InChIKeyNDMHKQUNZBFPLB-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.80
Rot. Bonds6

About 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide

4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide (PubChem CID 120565984) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
PubChem CID120565984
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
SMILESCc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCC(C)N
InChIInChI=1S/C22H27FN4O/c1-13(2)27-20-9-7-17(23)12-19(20)26-22(27)16-6-8-18(14(3)11-16)25-21(28)10-5-15(4)24/h6-9,11-13,15H,5,10,24H2,1-4H3,(H,25,28)
InChIKeyNDMHKQUNZBFPLB-UHFFFAOYSA-N
XLogP4.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide
CID 119900910
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
CID 119900909
3-amino-N-[4-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 120504377
N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119890958
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
CID 166427691
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
N-[4-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119900939
2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide
CID 120800894
2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800893
(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
CID 119891049

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide?
The IUPAC name of 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide (CID 120565984) is 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide?
The canonical SMILES for 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide is Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide?
The InChIKey is NDMHKQUNZBFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-13(2)27-20-9-7-17(23)12-19(20)26-22(27)16-6-8-18(14(3)11-16)25-21(28)10-5-15(4)24/h6-9,11-13,15H,5,10,24H2,1-4H3,(H,25,28).
What are the key properties of 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide?
4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide has a molecular weight of 382.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide is sourced from PubChem (CID 120565984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).