5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine

C17H21N3S — CID 63615316

IUPAC5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCCn1c(-c2cc(CC)sc2N)nc2cc(C)ccc21
InChIInChI=1S/C17H21N3S/c1-4-8-20-15-7-6-11(3)9-14(15)19-17(20)13-10-12(5-2)21-16(13)18/h6-7,9-10H,4-5,8,18H2,1-3H3
InChIKeyIOLYSFXKWCTMKF-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.63
Rot. Bonds4

About 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine

5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 63615316) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID63615316
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCCn1c(-c2cc(CC)sc2N)nc2cc(C)ccc21
InChIInChI=1S/C17H21N3S/c1-4-8-20-15-7-6-11(3)9-14(15)19-17(20)13-10-12(5-2)21-16(13)18/h6-7,9-10H,4-5,8,18H2,1-3H3
InChIKeyIOLYSFXKWCTMKF-UHFFFAOYSA-N
XLogP4.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614505
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614173
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine
CID 64668673

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine (CID 63615316) is 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine is CCCn1c(-c2cc(CC)sc2N)nc2cc(C)ccc21.
What is the InChIKey of 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is IOLYSFXKWCTMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-8-20-15-7-6-11(3)9-14(15)19-17(20)13-10-12(5-2)21-16(13)18/h6-7,9-10H,4-5,8,18H2,1-3H3.
What are the key properties of 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine?
5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 299.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 63615316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).