2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole

C18H15Cl3N2 — CID 18878391

IUPAC2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole
SMILESClc1ccc(Cc2nc3ccccc3n2CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C18H15Cl3N2/c19-14-7-5-12(6-8-14)9-17-22-15-3-1-2-4-16(15)23(17)11-13-10-18(13,20)21/h1-8,13H,9-11H2
InChIKeyWBTLZIFCMGXPJC-UHFFFAOYSA-N
MW365.69 g/mol
LogP5.47
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole

2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole (PubChem CID 18878391) has the molecular formula C18H15Cl3N2 and a molecular weight of 365.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole
PubChem CID18878391
Molecular FormulaC18H15Cl3N2
Molecular Weight365.69 g/mol
Exact Mass364.03
IUPAC Name2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole
SMILESClc1ccc(Cc2nc3ccccc3n2CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C18H15Cl3N2/c19-14-7-5-12(6-8-14)9-17-22-15-3-1-2-4-16(15)23(17)11-13-10-18(13,20)21/h1-8,13H,9-11H2
InChIKeyWBTLZIFCMGXPJC-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
CID 962459
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418
2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
CID 18878400
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol
CID 40823673
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
(4S)-4-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40634361

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole (CID 18878391) is 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole is Clc1ccc(Cc2nc3ccccc3n2CC2CC2(Cl)Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole?
The InChIKey is WBTLZIFCMGXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2/c19-14-7-5-12(6-8-14)9-17-22-15-3-1-2-4-16(15)23(17)11-13-10-18(13,20)21/h1-8,13H,9-11H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole?
2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole has a molecular weight of 365.69 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole is sourced from PubChem (CID 18878391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).