2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide

C13H17FN4O — CID 119882375

IUPAC2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCC(N)C(=O)NCCc1nc2cc(F)ccc2n1C
InChIInChI=1S/C13H17FN4O/c1-8(15)13(19)16-6-5-12-17-10-7-9(14)3-4-11(10)18(12)2/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyAHGKBLHYPKXSAB-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.72
Rot. Bonds4

About 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide

2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 119882375) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID119882375
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCC(N)C(=O)NCCc1nc2cc(F)ccc2n1C
InChIInChI=1S/C13H17FN4O/c1-8(15)13(19)16-6-5-12-17-10-7-9(14)3-4-11(10)18(12)2/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyAHGKBLHYPKXSAB-UHFFFAOYSA-N
XLogP0.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119882386
3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 78906097
(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124697386
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-(4-methylthiadiazol-5-yl)ethanamine
CID 146144879
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
CID 154843835
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide (CID 119882375) is 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide is CC(N)C(=O)NCCc1nc2cc(F)ccc2n1C.
What is the InChIKey of 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is AHGKBLHYPKXSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-8(15)13(19)16-6-5-12-17-10-7-9(14)3-4-11(10)18(12)2/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 264.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 119882375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).