3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine

C14H14ClN3S — CID 60784251

IUPAC3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCCn1c(-c2ccsc2N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H14ClN3S/c1-2-6-18-12-4-3-9(15)8-11(12)17-14(18)10-5-7-19-13(10)16/h3-5,7-8H,2,6,16H2,1H3
InChIKeyATRXWXOWBFKJTC-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.41
Rot. Bonds3

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

3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 60784251) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID60784251
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCCn1c(-c2ccsc2N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H14ClN3S/c1-2-6-18-12-4-3-9(15)8-11(12)17-14(18)10-5-7-19-13(10)16/h3-5,7-8H,2,6,16H2,1H3
InChIKeyATRXWXOWBFKJTC-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946902
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
CID 82810464
5-(5-chloro-1-propylbenzimidazol-2-yl)-1H-pyrazol-3-amine
CID 64528085
3-chloro-2-(5-chloro-1-propylbenzimidazol-2-yl)aniline
CID 63724804
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669272

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine (CID 60784251) is 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine is CCCn1c(-c2ccsc2N)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is ATRXWXOWBFKJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-2-6-18-12-4-3-9(15)8-11(12)17-14(18)10-5-7-19-13(10)16/h3-5,7-8H,2,6,16H2,1H3.
What are the key properties of 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 291.81 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 60784251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).