N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide

C11H11FN4O2 — CID 94800244

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(F)cc2[nH]cnc12)C(N)=O
InChIInChI=1S/C11H11FN4O2/c1-5(10(13)17)16-11(18)7-2-6(12)3-8-9(7)15-4-14-8/h2-5H,1H3,(H2,13,17)(H,14,15)(H,16,18)/t5-/m1/s1
InChIKeyNNUBGCNLVTUKBL-RXMQYKEDSA-N
MW250.23 g/mol
LogP0.31
Rot. Bonds3

About N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 94800244) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID94800244
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(F)cc2[nH]cnc12)C(N)=O
InChIInChI=1S/C11H11FN4O2/c1-5(10(13)17)16-11(18)7-2-6(12)3-8-9(7)15-4-14-8/h2-5H,1H3,(H2,13,17)(H,14,15)(H,16,18)/t5-/m1/s1
InChIKeyNNUBGCNLVTUKBL-RXMQYKEDSA-N
XLogP0.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide (CID 94800244) is N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide is C[C@@H](NC(=O)c1cc(F)cc2[nH]cnc12)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is NNUBGCNLVTUKBL-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-5(10(13)17)16-11(18)7-2-6(12)3-8-9(7)15-4-14-8/h2-5H,1H3,(H2,13,17)(H,14,15)(H,16,18)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 94800244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).