1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole

C16H14Cl2N2 — CID 962381

IUPAC1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3ccc(Cl)cc3Cl)c2cc1C
InChIInChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)7-14(12)18/h3-7,9H,8H2,1-2H3
InChIKeyMRRYXJGSMVFFHY-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.01
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole

1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 962381) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID962381
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3ccc(Cl)cc3Cl)c2cc1C
InChIInChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)7-14(12)18/h3-7,9H,8H2,1-2H3
InChIKeyMRRYXJGSMVFFHY-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole (CID 962381) is 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(Cc3ccc(Cl)cc3Cl)c2cc1C.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is MRRYXJGSMVFFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)7-14(12)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?
1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 305.21 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 962381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).