2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide

C22H25FN4O2 — CID 120800894

IUPAC2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C22H25FN4O2/c1-13-11-15(21-25-18-12-16(23)4-6-19(18)27(21)2)3-5-17(13)26-22(28)20(24)14-7-9-29-10-8-14/h3-6,11-12,14,20H,7-10,24H2,1-2H3,(H,26,28)
InChIKeyFNBQTSOKCNXMCX-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.38
Rot. Bonds4

About 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120800894) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide
PubChem CID120800894
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C22H25FN4O2/c1-13-11-15(21-25-18-12-16(23)4-6-19(18)27(21)2)3-5-17(13)26-22(28)20(24)14-7-9-29-10-8-14/h3-6,11-12,14,20H,7-10,24H2,1-2H3,(H,26,28)
InChIKeyFNBQTSOKCNXMCX-UHFFFAOYSA-N
XLogP3.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800893
2-amino-N-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783512
2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
CID 166427691
3-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119890966
(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
CID 119891049
2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 119891017
N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119890958
4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 120565984
N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119891004
3-amino-N-[4-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 120504377
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide (CID 120800894) is 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide is Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is FNBQTSOKCNXMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-13-11-15(21-25-18-12-16(23)4-6-19(18)27(21)2)3-5-17(13)26-22(28)20(24)14-7-9-29-10-8-14/h3-6,11-12,14,20H,7-10,24H2,1-2H3,(H,26,28).
What are the key properties of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).