1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine

C15H23N3S — CID 63959143

IUPAC1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CC(C)CSC
InChIInChI=1S/C15H23N3S/c1-4-5-15-17-13-8-12(16)6-7-14(13)18(15)9-11(2)10-19-3/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyLOYBBIFXQZCKIF-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.57
Rot. Bonds6

About 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine

1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine (PubChem CID 63959143) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
PubChem CID63959143
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CC(C)CSC
InChIInChI=1S/C15H23N3S/c1-4-5-15-17-13-8-12(16)6-7-14(13)18(15)9-11(2)10-19-3/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyLOYBBIFXQZCKIF-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
5-iodo-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 66080022
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
CID 62508563
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine
CID 80690550
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
CID 62508066
1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine
CID 65245608
1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine (CID 63959143) is 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1CC(C)CSC.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine?
The InChIKey is LOYBBIFXQZCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-5-15-17-13-8-12(16)6-7-14(13)18(15)9-11(2)10-19-3/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine?
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine has a molecular weight of 277.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 63959143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).