2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide

C13H16N4O2S — CID 61366940

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H16N4O2S/c1-7(12(18)15-9-3-4-9)20(19)13-16-10-5-2-8(14)6-11(10)17-13/h2,5-7,9H,3-4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyCYHKPABDQNXLMM-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.92
Rot. Bonds4

About 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide

2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide (PubChem CID 61366940) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
PubChem CID61366940
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H16N4O2S/c1-7(12(18)15-9-3-4-9)20(19)13-16-10-5-2-8(14)6-11(10)17-13/h2,5-7,9H,3-4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyCYHKPABDQNXLMM-UHFFFAOYSA-N
XLogP0.92
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898
3-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-methylpropanamide
CID 62326631
2-(cyclobutylmethylsulfinyl)-3H-benzimidazol-5-amine
CID 65457696
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide
CID 61367686
2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81182603
2-(3,3-dimethylbutylsulfinyl)-3H-benzimidazol-5-amine
CID 54958098
1-(6-amino-1H-benzimidazol-2-yl)ethanone
CID 83428502
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112624225

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide (CID 61366940) is 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)S(=O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide?
The InChIKey is CYHKPABDQNXLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7(12(18)15-9-3-4-9)20(19)13-16-10-5-2-8(14)6-11(10)17-13/h2,5-7,9H,3-4,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide?
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide has a molecular weight of 292.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 61366940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).