3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide

C12H15FN4O — CID 119885395

IUPAC3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H15FN4O/c1-7(14)4-12(18)15-6-11-16-9-3-2-8(13)5-10(9)17-11/h2-3,5,7H,4,6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyMKYDUWNAKLRYIO-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.06
Rot. Bonds4

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

3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide (PubChem CID 119885395) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
PubChem CID119885395
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H15FN4O/c1-7(14)4-12(18)15-6-11-16-9-3-2-8(13)5-10(9)17-11/h2-3,5,7H,4,6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyMKYDUWNAKLRYIO-UHFFFAOYSA-N
XLogP1.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.06
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-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
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
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 77080225
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 71867281
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119885398
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide
CID 77083004

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide (CID 119885395) is 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide is CC(N)CC(=O)NCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide?
The InChIKey is MKYDUWNAKLRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7(14)4-12(18)15-6-11-16-9-3-2-8(13)5-10(9)17-11/h2-3,5,7H,4,6,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide?
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide has a molecular weight of 250.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 119885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).