2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole

C15H15BrClN3S — CID 65346520

IUPAC2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCn2c(CCCl)nc3ccc(Br)cc32)n1
InChIInChI=1S/C15H15BrClN3S/c1-10-9-21-15(18-10)5-7-20-13-8-11(16)2-3-12(13)19-14(20)4-6-17/h2-3,8-9H,4-7H2,1H3
InChIKeyMTVWYZFFNBMOEE-UHFFFAOYSA-N
MW384.73 g/mol
LogP4.59
Rot. Bonds5

About 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole

2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 65346520) has the molecular formula C15H15BrClN3S and a molecular weight of 384.73 g/mol. Its IUPAC name is 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID65346520
Molecular FormulaC15H15BrClN3S
Molecular Weight384.73 g/mol
Exact Mass382.99
IUPAC Name2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCn2c(CCCl)nc3ccc(Br)cc32)n1
InChIInChI=1S/C15H15BrClN3S/c1-10-9-21-15(18-10)5-7-20-13-8-11(16)2-3-12(13)19-14(20)4-6-17/h2-3,8-9H,4-7H2,1H3
InChIKeyMTVWYZFFNBMOEE-UHFFFAOYSA-N
XLogP4.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.73
LogP ≤ 54.59
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-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole (CID 65346520) is 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole is Cc1csc(CCn2c(CCCl)nc3ccc(Br)cc32)n1.
What is the InChIKey of 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is MTVWYZFFNBMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3S/c1-10-9-21-15(18-10)5-7-20-13-8-11(16)2-3-12(13)19-14(20)4-6-17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 384.73 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 65346520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).