(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide

C11H13FN4O — CID 119338786

IUPAC(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nc2c(F)cccc2n1C
InChIInChI=1S/C11H13FN4O/c1-6(13)10(17)15-11-14-9-7(12)4-3-5-8(9)16(11)2/h3-6H,13H2,1-2H3,(H,14,15,17)/t6-/m1/s1
InChIKeyKNMCTCBMEWHCDZ-ZCFIWIBFSA-N
MW236.25 g/mol
LogP1.00
Rot. Bonds2

About (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide

(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide (PubChem CID 119338786) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide
PubChem CID119338786
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nc2c(F)cccc2n1C
InChIInChI=1S/C11H13FN4O/c1-6(13)10(17)15-11-14-9-7(12)4-3-5-8(9)16(11)2/h3-6H,13H2,1-2H3,(H,14,15,17)/t6-/m1/s1
InChIKeyKNMCTCBMEWHCDZ-ZCFIWIBFSA-N
XLogP1.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide (CID 119338786) is (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide is C[C@@H](N)C(=O)Nc1nc2c(F)cccc2n1C.
What is the InChIKey of (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide?
The InChIKey is KNMCTCBMEWHCDZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-6(13)10(17)15-11-14-9-7(12)4-3-5-8(9)16(11)2/h3-6H,13H2,1-2H3,(H,14,15,17)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide?
(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide has a molecular weight of 236.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 119338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).