5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole

C20H18Cl4N4 — CID 91737844

IUPAC5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
SMILESCc1nc2cc(Cl)c(Cl)cc2n1CCCCn1c(C)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H18Cl4N4/c1-11-25-17-7-13(21)15(23)9-19(17)27(11)5-3-4-6-28-12(2)26-18-8-14(22)16(24)10-20(18)28/h7-10H,3-6H2,1-2H3
InChIKeyHMHJBHPMSZNRHC-UHFFFAOYSA-N
MW456.20 g/mol
LogP7.10
Rot. Bonds5

About 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole

5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole (PubChem CID 91737844) has the molecular formula C20H18Cl4N4 and a molecular weight of 456.20 g/mol. Its IUPAC name is 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
PubChem CID91737844
Molecular FormulaC20H18Cl4N4
Molecular Weight456.20 g/mol
Exact Mass454.03
IUPAC Name5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
SMILESCc1nc2cc(Cl)c(Cl)cc2n1CCCCn1c(C)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H18Cl4N4/c1-11-25-17-7-13(21)15(23)9-19(17)27(11)5-3-4-6-28-12(2)26-18-8-14(22)16(24)10-20(18)28/h7-10H,3-6H2,1-2H3
InChIKeyHMHJBHPMSZNRHC-UHFFFAOYSA-N
XLogP7.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.20
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
6-chloro-1-dodecyl-2-methylbenzimidazole
CID 139664986
3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145962
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
CID 167596718
4-[5,6-dichloro-2-(2-methylpropyl)benzimidazol-1-yl]butan-1-amine
CID 94749196
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one
CID 167583798
3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
CID 94749172
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole?
The IUPAC name of 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole (CID 91737844) is 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole.
What is the SMILES notation for 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole?
The canonical SMILES for 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole is Cc1nc2cc(Cl)c(Cl)cc2n1CCCCn1c(C)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole?
The InChIKey is HMHJBHPMSZNRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl4N4/c1-11-25-17-7-13(21)15(23)9-19(17)27(11)5-3-4-6-28-12(2)26-18-8-14(22)16(24)10-20(18)28/h7-10H,3-6H2,1-2H3.
What are the key properties of 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole?
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole has a molecular weight of 456.20 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole is sourced from PubChem (CID 91737844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).