5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole

C14H15Cl2FN2 — CID 114101190

IUPAC5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)c(F)cc2n1CC1(C)CC1
InChIInChI=1S/C14H15Cl2FN2/c1-8(15)13-18-11-5-9(16)10(17)6-12(11)19(13)7-14(2)3-4-14/h5-6,8H,3-4,7H2,1-2H3
InChIKeySCPHKFLDXCZNGH-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.93
Rot. Bonds3

About 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole

5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole (PubChem CID 114101190) has the molecular formula C14H15Cl2FN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole
PubChem CID114101190
Molecular FormulaC14H15Cl2FN2
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)c(F)cc2n1CC1(C)CC1
InChIInChI=1S/C14H15Cl2FN2/c1-8(15)13-18-11-5-9(16)10(17)6-12(11)19(13)7-14(2)3-4-14/h5-6,8H,3-4,7H2,1-2H3
InChIKeySCPHKFLDXCZNGH-UHFFFAOYSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole (CID 114101190) is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole is CC(Cl)c1nc2cc(Cl)c(F)cc2n1CC1(C)CC1.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole?
The InChIKey is SCPHKFLDXCZNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN2/c1-8(15)13-18-11-5-9(16)10(17)6-12(11)19(13)7-14(2)3-4-14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole?
5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole has a molecular weight of 301.19 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole is sourced from PubChem (CID 114101190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).