3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine

C16H18ClN3S — CID 115473018

IUPAC3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(Cl)cc3n2C(C)C)c(N)s1
InChIInChI=1S/C16H18ClN3S/c1-4-11-8-12(15(18)21-11)16-19-13-6-5-10(17)7-14(13)20(16)9(2)3/h5-9H,4,18H2,1-3H3
InChIKeyJXXIEJOHDIBAMQ-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.14
Rot. Bonds3

About 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine

3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine (PubChem CID 115473018) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
PubChem CID115473018
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(Cl)cc3n2C(C)C)c(N)s1
InChIInChI=1S/C16H18ClN3S/c1-4-11-8-12(15(18)21-11)16-19-13-6-5-10(17)7-14(13)20(16)9(2)3/h5-9H,4,18H2,1-3H3
InChIKeyJXXIEJOHDIBAMQ-UHFFFAOYSA-N
XLogP5.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.86
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614173
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine
CID 115473071
3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614668
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785666
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614015
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614505

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The IUPAC name of 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine (CID 115473018) is 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The canonical SMILES for 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine is CCc1cc(-c2nc3ccc(Cl)cc3n2C(C)C)c(N)s1.
What is the InChIKey of 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The InChIKey is JXXIEJOHDIBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-4-11-8-12(15(18)21-11)16-19-13-6-5-10(17)7-14(13)20(16)9(2)3/h5-9H,4,18H2,1-3H3.
What are the key properties of 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine has a molecular weight of 319.86 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine is sourced from PubChem (CID 115473018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).