1-[(3,5-dichlorophenyl)methyl]benzimidazole

C14H10Cl2N2 — CID 150699532

IUPAC1-[(3,5-dichlorophenyl)methyl]benzimidazole
SMILESClc1cc(Cl)cc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C14H10Cl2N2/c15-11-5-10(6-12(16)7-11)8-18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8H2
InChIKeyJLOOLTAMODLQFW-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.39
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]benzimidazole

1-[(3,5-dichlorophenyl)methyl]benzimidazole (PubChem CID 150699532) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]benzimidazole
PubChem CID150699532
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name1-[(3,5-dichlorophenyl)methyl]benzimidazole
SMILESClc1cc(Cl)cc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C14H10Cl2N2/c15-11-5-10(6-12(16)7-11)8-18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8H2
InChIKeyJLOOLTAMODLQFW-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3-phenylphenyl)methyl]benzimidazole
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4-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
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1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole
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1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221
4-(benzimidazol-1-ylmethyl)pyridine-2-carbothioamide
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1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]benzimidazole?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]benzimidazole (CID 150699532) is 1-[(3,5-dichlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]benzimidazole is Clc1cc(Cl)cc(Cn2cnc3ccccc32)c1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]benzimidazole?
The InChIKey is JLOOLTAMODLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-11-5-10(6-12(16)7-11)8-18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]benzimidazole?
1-[(3,5-dichlorophenyl)methyl]benzimidazole has a molecular weight of 277.15 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 150699532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).