2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine

C15H21N3O2S — CID 79558467

IUPAC2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
SMILESCC(C)(Cn1c(C2CC2)nc2cc(N)ccc21)S(C)(=O)=O
InChIInChI=1S/C15H21N3O2S/c1-15(2,21(3,19)20)9-18-13-7-6-11(16)8-12(13)17-14(18)10-4-5-10/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyUYIMAGBVGJSUBO-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.32
Rot. Bonds4

About 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine

2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine (PubChem CID 79558467) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
PubChem CID79558467
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
SMILESCC(C)(Cn1c(C2CC2)nc2cc(N)ccc21)S(C)(=O)=O
InChIInChI=1S/C15H21N3O2S/c1-15(2,21(3,19)20)9-18-13-7-6-11(16)8-12(13)17-14(18)10-4-5-10/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyUYIMAGBVGJSUBO-UHFFFAOYSA-N
XLogP2.32
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79550091
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830686
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
2-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-5-amine
CID 81042244
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
CID 83215207

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine (CID 79558467) is 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine is CC(C)(Cn1c(C2CC2)nc2cc(N)ccc21)S(C)(=O)=O.
What is the InChIKey of 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
The InChIKey is UYIMAGBVGJSUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,21(3,19)20)9-18-13-7-6-11(16)8-12(13)17-14(18)10-4-5-10/h6-8,10H,4-5,9,16H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine has a molecular weight of 307.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine is sourced from PubChem (CID 79558467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).