3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide

C14H19FN4O — CID 120504301

IUPAC3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19FN4O/c1-8(9(2)16)14(20)17-6-5-13-18-11-4-3-10(15)7-12(11)19-13/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVOENQVHTVDHLIN-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide

3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide (PubChem CID 120504301) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
PubChem CID120504301
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19FN4O/c1-8(9(2)16)14(20)17-6-5-13-18-11-4-3-10(15)7-12(11)19-13/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVOENQVHTVDHLIN-UHFFFAOYSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 84561103
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide (CID 120504301) is 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide?
The InChIKey is VOENQVHTVDHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-8(9(2)16)14(20)17-6-5-13-18-11-4-3-10(15)7-12(11)19-13/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide?
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide has a molecular weight of 278.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 120504301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).