(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide

C15H21FN4O — CID 119898385

IUPAC(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H21FN4O/c1-9(2)7-11(17)15(21)18-6-5-14-19-12-4-3-10(16)8-13(12)20-14/h3-4,8-9,11H,5-7,17H2,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyBHMTUZCCMPFKCX-NSHDSACASA-N
MW292.36 g/mol
LogP1.73
Rot. Bonds6

About (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide (PubChem CID 119898385) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
PubChem CID119898385
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H21FN4O/c1-9(2)7-11(17)15(21)18-6-5-14-19-12-4-3-10(16)8-13(12)20-14/h3-4,8-9,11H,5-7,17H2,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyBHMTUZCCMPFKCX-NSHDSACASA-N
XLogP1.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 91659482

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide (CID 119898385) is (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide?
The InChIKey is BHMTUZCCMPFKCX-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FN4O/c1-9(2)7-11(17)15(21)18-6-5-14-19-12-4-3-10(16)8-13(12)20-14/h3-4,8-9,11H,5-7,17H2,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide has a molecular weight of 292.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 119898385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).