1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine

C16H18ClN3S — CID 63105616

IUPAC1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine
SMILESCCc1nc2ccccc2n1C(c1ccc(Cl)s1)C(C)N
InChIInChI=1S/C16H18ClN3S/c1-3-15-19-11-6-4-5-7-12(11)20(15)16(10(2)18)13-8-9-14(17)21-13/h4-10,16H,3,18H2,1-2H3
InChIKeyBHWWQJPSLWIMOM-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.25
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine

1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine (PubChem CID 63105616) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine
PubChem CID63105616
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine
SMILESCCc1nc2ccccc2n1C(c1ccc(Cl)s1)C(C)N
InChIInChI=1S/C16H18ClN3S/c1-3-15-19-11-6-4-5-7-12(11)20(15)16(10(2)18)13-8-9-14(17)21-13/h4-10,16H,3,18H2,1-2H3
InChIKeyBHWWQJPSLWIMOM-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine (CID 63105616) is 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine is CCc1nc2ccccc2n1C(c1ccc(Cl)s1)C(C)N.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine?
The InChIKey is BHWWQJPSLWIMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-3-15-19-11-6-4-5-7-12(11)20(15)16(10(2)18)13-8-9-14(17)21-13/h4-10,16H,3,18H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine?
1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine has a molecular weight of 319.86 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 63105616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).