1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine

C15H17N3S — CID 115552600

IUPAC1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
SMILESCCc1ccsc1Cn1c(N)nc2cccc(C)c21
InChIInChI=1S/C15H17N3S/c1-3-11-7-8-19-13(11)9-18-14-10(2)5-4-6-12(14)17-15(18)16/h4-8H,3,9H2,1-2H3,(H2,16,17)
InChIKeyDLKMKTJNFLKKIB-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.60
Rot. Bonds3

About 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine

1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine (PubChem CID 115552600) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
PubChem CID115552600
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
SMILESCCc1ccsc1Cn1c(N)nc2cccc(C)c21
InChIInChI=1S/C15H17N3S/c1-3-11-7-8-19-13(11)9-18-14-10(2)5-4-6-12(14)17-15(18)16/h4-8H,3,9H2,1-2H3,(H2,16,17)
InChIKeyDLKMKTJNFLKKIB-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
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
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 112740692
7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine
CID 115552225
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine (CID 115552600) is 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine is CCc1ccsc1Cn1c(N)nc2cccc(C)c21.
What is the InChIKey of 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine?
The InChIKey is DLKMKTJNFLKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-11-7-8-19-13(11)9-18-14-10(2)5-4-6-12(14)17-15(18)16/h4-8H,3,9H2,1-2H3,(H2,16,17).
What are the key properties of 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine?
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine has a molecular weight of 271.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).