(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide

C21H25FN4O — CID 119891049

IUPAC(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C21H25FN4O/c1-12(2)9-16(23)21(27)25-17-10-14(6-5-13(17)3)20-24-18-11-15(22)7-8-19(18)26(20)4/h5-8,10-12,16H,9,23H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyBSTRKTHYQGOMRL-INIZCTEOSA-N
MW368.46 g/mol
LogP4.00
Rot. Bonds5

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

(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide (PubChem CID 119891049) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
PubChem CID119891049
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C21H25FN4O/c1-12(2)9-16(23)21(27)25-17-10-14(6-5-13(17)3)20-24-18-11-15(22)7-8-19(18)26(20)4/h5-8,10-12,16H,9,23H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyBSTRKTHYQGOMRL-INIZCTEOSA-N
XLogP4.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 119891017
2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
CID 166427691
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
N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119891004
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119890958
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide (CID 119891049) is (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide is Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide?
The InChIKey is BSTRKTHYQGOMRL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-12(2)9-16(23)21(27)25-17-10-14(6-5-13(17)3)20-24-18-11-15(22)7-8-19(18)26(20)4/h5-8,10-12,16H,9,23H2,1-4H3,(H,25,27)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide?
(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide has a molecular weight of 368.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide is sourced from PubChem (CID 119891049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).