2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine

C17H20ClN3S — CID 46309439

IUPAC2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(-c2cccs2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H20ClN3S/c1-3-20(4-2)9-10-21-15-8-7-13(18)12-14(15)19-17(21)16-6-5-11-22-16/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyNXZGOMAQFZBFSZ-UHFFFAOYSA-N
MW333.89 g/mol
LogP4.76
Rot. Bonds6

About 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine

2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine (PubChem CID 46309439) has the molecular formula C17H20ClN3S and a molecular weight of 333.89 g/mol. Its IUPAC name is 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
PubChem CID46309439
Molecular FormulaC17H20ClN3S
Molecular Weight333.89 g/mol
Exact Mass333.11
IUPAC Name2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(-c2cccs2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H20ClN3S/c1-3-20(4-2)9-10-21-15-8-7-13(18)12-14(15)19-17(21)16-6-5-11-22-16/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyNXZGOMAQFZBFSZ-UHFFFAOYSA-N
XLogP4.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine (CID 46309439) is 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine is CCN(CC)CCn1c(-c2cccs2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine?
The InChIKey is NXZGOMAQFZBFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3S/c1-3-20(4-2)9-10-21-15-8-7-13(18)12-14(15)19-17(21)16-6-5-11-22-16/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine?
2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine has a molecular weight of 333.89 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine is sourced from PubChem (CID 46309439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).