2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine

C14H14ClN3S — CID 114915465

IUPAC2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCCn1c(-c2scc(C)c2N)nc2cccc(Cl)c21
InChIInChI=1S/C14H14ClN3S/c1-3-18-12-9(15)5-4-6-10(12)17-14(18)13-11(16)8(2)7-19-13/h4-7H,3,16H2,1-2H3
InChIKeyFYDGNJSHJUWFNM-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.33
Rot. Bonds2

About 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine

2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine (PubChem CID 114915465) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine
PubChem CID114915465
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCCn1c(-c2scc(C)c2N)nc2cccc(Cl)c21
InChIInChI=1S/C14H14ClN3S/c1-3-18-12-9(15)5-4-6-10(12)17-14(18)13-11(16)8(2)7-19-13/h4-7H,3,16H2,1-2H3
InChIKeyFYDGNJSHJUWFNM-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The IUPAC name of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine (CID 114915465) is 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine.
What is the SMILES notation for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The canonical SMILES for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine is CCn1c(-c2scc(C)c2N)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The InChIKey is FYDGNJSHJUWFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-3-18-12-9(15)5-4-6-10(12)17-14(18)13-11(16)8(2)7-19-13/h4-7H,3,16H2,1-2H3.
What are the key properties of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine has a molecular weight of 291.81 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine is sourced from PubChem (CID 114915465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).