6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole

C14H9Cl3N2 — CID 60648883

IUPAC6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
SMILESClc1ccc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H9Cl3N2/c15-9-2-4-12-13(7-9)19-14(18-12)6-8-1-3-10(16)11(17)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyXZUUKXYTYZNQRG-UHFFFAOYSA-N
MW311.60 g/mol
LogP5.11
Rot. Bonds2

About 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole

6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole (PubChem CID 60648883) has the molecular formula C14H9Cl3N2 and a molecular weight of 311.60 g/mol. Its IUPAC name is 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
PubChem CID60648883
Molecular FormulaC14H9Cl3N2
Molecular Weight311.60 g/mol
Exact Mass309.98
IUPAC Name6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
SMILESClc1ccc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H9Cl3N2/c15-9-2-4-12-13(7-9)19-14(18-12)6-8-1-3-10(16)11(17)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyXZUUKXYTYZNQRG-UHFFFAOYSA-N
XLogP5.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 81455928
8-[(3,4-dichlorophenyl)methyl]-7H-purine
CID 114402573
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride
CID 18616882
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole
CID 11199882

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole (CID 60648883) is 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole is Clc1ccc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
The InChIKey is XZUUKXYTYZNQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2/c15-9-2-4-12-13(7-9)19-14(18-12)6-8-1-3-10(16)11(17)5-8/h1-5,7H,6H2,(H,18,19).
What are the key properties of 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole has a molecular weight of 311.60 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 60648883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).