1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole

C15H13BrCl2N2S — CID 106038122

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CCc1ccc(Br)s1
InChIInChI=1S/C15H13BrCl2N2S/c1-9(17)15-19-12-4-2-10(18)8-13(12)20(15)7-6-11-3-5-14(16)21-11/h2-5,8-9H,6-7H2,1H3
InChIKeyAQGVBSFPMIFHNZ-UHFFFAOYSA-N
MW404.16 g/mol
LogP6.06
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole

1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole (PubChem CID 106038122) has the molecular formula C15H13BrCl2N2S and a molecular weight of 404.16 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole
PubChem CID106038122
Molecular FormulaC15H13BrCl2N2S
Molecular Weight404.16 g/mol
Exact Mass401.94
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CCc1ccc(Br)s1
InChIInChI=1S/C15H13BrCl2N2S/c1-9(17)15-19-12-4-2-10(18)8-13(12)20(15)7-6-11-3-5-14(16)21-11/h2-5,8-9H,6-7H2,1H3
InChIKeyAQGVBSFPMIFHNZ-UHFFFAOYSA-N
XLogP6.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.16
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
6-chloro-2-(1-chloroethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471398
6-chloro-2-(1-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 115471528
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326511
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole (CID 106038122) is 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1CCc1ccc(Br)s1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole?
The InChIKey is AQGVBSFPMIFHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2S/c1-9(17)15-19-12-4-2-10(18)8-13(12)20(15)7-6-11-3-5-14(16)21-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole?
1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole has a molecular weight of 404.16 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole is sourced from PubChem (CID 106038122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).