2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole

C14H10Cl2F2N2S — CID 115509551

IUPAC2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cc(F)cc2n1Cc1ccc(Cl)s1
InChIInChI=1S/C14H10Cl2F2N2S/c1-7(15)14-19-13-10(18)4-8(17)5-11(13)20(14)6-9-2-3-12(16)21-9/h2-5,7H,6H2,1H3
InChIKeyJYCBHVZXEYYUAS-UHFFFAOYSA-N
MW347.22 g/mol
LogP5.38
Rot. Bonds3

About 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole

2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole (PubChem CID 115509551) has the molecular formula C14H10Cl2F2N2S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole
PubChem CID115509551
Molecular FormulaC14H10Cl2F2N2S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cc(F)cc2n1Cc1ccc(Cl)s1
InChIInChI=1S/C14H10Cl2F2N2S/c1-7(15)14-19-13-10(18)4-8(17)5-11(13)20(14)6-9-2-3-12(16)21-9/h2-5,7H,6H2,1H3
InChIKeyJYCBHVZXEYYUAS-UHFFFAOYSA-N
XLogP5.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.22
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)-4,6-difluorobenzimidazole
CID 115509554
3-[[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 106406767
2-(chloromethyl)-4,6-difluoro-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 115509425
2-(1-chloroethyl)-4,6-difluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 115509436
methyl 2-[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]acetate
CID 113325656
2-(1-chloroethyl)-4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazole
CID 115509367
2-[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]ethyl carbamate
CID 83205268
2-(1-chloroethyl)-3-[(5-chlorothiophen-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294113
4-chloro-2-(1-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005420
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole (CID 115509551) is 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole is CC(Cl)c1nc2c(F)cc(F)cc2n1Cc1ccc(Cl)s1.
What is the InChIKey of 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole?
The InChIKey is JYCBHVZXEYYUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2S/c1-7(15)14-19-13-10(18)4-8(17)5-11(13)20(14)6-9-2-3-12(16)21-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole?
2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole has a molecular weight of 347.22 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole is sourced from PubChem (CID 115509551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).