2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine

C15H17N3S — CID 63991681

IUPAC2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)c3sccc3C)cc2[nH]1
InChIInChI=1S/C15H17N3S/c1-9-6-7-19-15(9)10(2)16-12-4-5-13-14(8-12)18-11(3)17-13/h4-8,10,16H,1-3H3,(H,17,18)
InChIKeyLQOHYGAEMWTBHI-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.41
Rot. Bonds3

About 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine

2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine (PubChem CID 63991681) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine
PubChem CID63991681
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)c3sccc3C)cc2[nH]1
InChIInChI=1S/C15H17N3S/c1-9-6-7-19-15(9)10(2)16-12-4-5-13-14(8-12)18-11(3)17-13/h4-8,10,16H,1-3H3,(H,17,18)
InChIKeyLQOHYGAEMWTBHI-UHFFFAOYSA-N
XLogP4.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746480
N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
CID 115929031
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746343
N-[(3-bromothiophen-2-yl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 113298016
3-chloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992819
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine
CID 63991660
2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
2-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]propanenitrile
CID 63991844
N-[1-(3-methylthiophen-2-yl)ethyl]-1,3-benzodioxol-5-amine
CID 63992421
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
CID 104584102
N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 63991077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine (CID 63991681) is 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine is Cc1nc2ccc(NC(C)c3sccc3C)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine?
The InChIKey is LQOHYGAEMWTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-9-6-7-19-15(9)10(2)16-12-4-5-13-14(8-12)18-11(3)17-13/h4-8,10,16H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine?
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine has a molecular weight of 271.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 63991681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).