7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine

C14H19N3S — CID 113333998

IUPAC7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CC3(C)CCCS3)c12
InChIInChI=1S/C14H19N3S/c1-10-5-3-6-11-12(10)17(13(15)16-11)9-14(2)7-4-8-18-14/h3,5-6H,4,7-9H2,1-2H3,(H2,15,16)
InChIKeyQTDOQNVHRCMQMX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.21
Rot. Bonds2

About 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine

7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine (PubChem CID 113333998) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine
PubChem CID113333998
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CC3(C)CCCS3)c12
InChIInChI=1S/C14H19N3S/c1-10-5-3-6-11-12(10)17(13(15)16-11)9-14(2)7-4-8-18-14/h3,5-6H,4,7-9H2,1-2H3,(H2,15,16)
InChIKeyQTDOQNVHRCMQMX-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-[(2-methylthiolan-2-yl)methyl]-2-propylbenzimidazol-5-amine
CID 80724306
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552593
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine (CID 113333998) is 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine is Cc1cccc2nc(N)n(CC3(C)CCCS3)c12.
What is the InChIKey of 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is QTDOQNVHRCMQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-5-3-6-11-12(10)17(13(15)16-11)9-14(2)7-4-8-18-14/h3,5-6H,4,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine?
7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 113333998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).