2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole

C15H15Cl2N3S — CID 63239967

IUPAC2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCn2c(C(C)Cl)nc3cccc(Cl)c32)n1
InChIInChI=1S/C15H15Cl2N3S/c1-9-8-21-13(18-9)6-7-20-14-11(17)4-3-5-12(14)19-15(20)10(2)16/h3-5,8,10H,6-7H2,1-2H3
InChIKeyKYZGNTJQMWTSFM-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.00
Rot. Bonds4

About 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole

2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 63239967) has the molecular formula C15H15Cl2N3S and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID63239967
Molecular FormulaC15H15Cl2N3S
Molecular Weight340.28 g/mol
Exact Mass339.04
IUPAC Name2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCn2c(C(C)Cl)nc3cccc(Cl)c32)n1
InChIInChI=1S/C15H15Cl2N3S/c1-9-8-21-13(18-9)6-7-20-14-11(17)4-3-5-12(14)19-15(20)10(2)16/h3-5,8,10H,6-7H2,1-2H3
InChIKeyKYZGNTJQMWTSFM-UHFFFAOYSA-N
XLogP5.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole (CID 63239967) is 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole is Cc1csc(CCn2c(C(C)Cl)nc3cccc(Cl)c32)n1.
What is the InChIKey of 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is KYZGNTJQMWTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3S/c1-9-8-21-13(18-9)6-7-20-14-11(17)4-3-5-12(14)19-15(20)10(2)16/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 340.28 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 63239967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).