7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

C13H14N4S — CID 113333995

IUPAC7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)c3nccs3)c12
InChIInChI=1S/C13H14N4S/c1-8-4-3-5-10-11(8)17(13(14)16-10)9(2)12-15-6-7-18-12/h3-7,9H,1-2H3,(H2,14,16)
InChIKeyIYMRGODNWBQVMF-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.99
Rot. Bonds2

About 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 113333995) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
PubChem CID113333995
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)c3nccs3)c12
InChIInChI=1S/C13H14N4S/c1-8-4-3-5-10-11(8)17(13(14)16-10)9(2)12-15-6-7-18-12/h3-7,9H,1-2H3,(H2,14,16)
InChIKeyIYMRGODNWBQVMF-UHFFFAOYSA-N
XLogP2.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79289847
7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79293782
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552367
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
CID 115552359
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
1,3-dimethyl-6-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79296870
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
3-amino-4-[1-(1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 64571546
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
2-[[2-(1-chloroethyl)-7-methylbenzimidazol-1-yl]methyl]-1,3-thiazole
CID 115553218
1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine
CID 115552380
7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843686

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (CID 113333995) is 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is Cc1cccc2nc(N)n(C(C)c3nccs3)c12.
What is the InChIKey of 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is IYMRGODNWBQVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-4-3-5-10-11(8)17(13(14)16-10)9(2)12-15-6-7-18-12/h3-7,9H,1-2H3,(H2,14,16).
What are the key properties of 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 258.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 113333995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).