7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine

C14H15N3S — CID 115552599

IUPAC7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccsc1Cn1c(N)nc2cccc(C)c21
InChIInChI=1S/C14H15N3S/c1-9-6-7-18-12(9)8-17-13-10(2)4-3-5-11(13)16-14(17)15/h3-7H,8H2,1-2H3,(H2,15,16)
InChIKeyAVTTZVWNUAMQFT-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.35
Rot. Bonds2

About 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine

7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine (PubChem CID 115552599) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
PubChem CID115552599
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccsc1Cn1c(N)nc2cccc(C)c21
InChIInChI=1S/C14H15N3S/c1-9-6-7-18-12(9)8-17-13-10(2)4-3-5-11(13)16-14(17)15/h3-7H,8H2,1-2H3,(H2,15,16)
InChIKeyAVTTZVWNUAMQFT-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 115552449
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 112740692
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine
CID 113333998
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine (CID 115552599) is 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine is Cc1ccsc1Cn1c(N)nc2cccc(C)c21.
What is the InChIKey of 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is AVTTZVWNUAMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-6-7-18-12(9)8-17-13-10(2)4-3-5-11(13)16-14(17)15/h3-7H,8H2,1-2H3,(H2,15,16).
What are the key properties of 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 257.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 115552599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).