3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide

C11H13FN4O — CID 119342267

IUPAC3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
SMILESCn1c(NC(=O)CCN)nc2cc(F)ccc21
InChIInChI=1S/C11H13FN4O/c1-16-9-3-2-7(12)6-8(9)14-11(16)15-10(17)4-5-13/h2-3,6H,4-5,13H2,1H3,(H,14,15,17)
InChIKeyYVLBSVIHUSPHMS-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.00
Rot. Bonds3

About 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide

3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide (PubChem CID 119342267) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
PubChem CID119342267
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
SMILESCn1c(NC(=O)CCN)nc2cc(F)ccc21
InChIInChI=1S/C11H13FN4O/c1-16-9-3-2-7(12)6-8(9)14-11(16)15-10(17)4-5-13/h2-3,6H,4-5,13H2,1H3,(H,14,15,17)
InChIKeyYVLBSVIHUSPHMS-UHFFFAOYSA-N
XLogP1.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide
CID 119900910
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
CID 119900909
N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide
CID 86778211
6-fluoro-N-(5-fluoro-1-methylbenzimidazol-2-yl)pyridine-3-carboxamide
CID 75375145
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119816279
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099093
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 126784134
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide?
The IUPAC name of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide (CID 119342267) is 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide?
The canonical SMILES for 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide is Cn1c(NC(=O)CCN)nc2cc(F)ccc21.
What is the InChIKey of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide?
The InChIKey is YVLBSVIHUSPHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-16-9-3-2-7(12)6-8(9)14-11(16)15-10(17)4-5-13/h2-3,6H,4-5,13H2,1H3,(H,14,15,17).
What are the key properties of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide?
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide has a molecular weight of 236.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 119342267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).