4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine

C16H12Cl2N4 — CID 167126757

IUPAC4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(Nc2nc3c(Cl)cc(Cl)cc3[nH]2)cc2[nH]ccc12
InChIInChI=1S/C16H12Cl2N4/c1-8-4-10(7-13-11(8)2-3-19-13)20-16-21-14-6-9(17)5-12(18)15(14)22-16/h2-7,19H,1H3,(H2,20,21,22)
InChIKeyRRHFTKWVTQNPSV-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.40
Rot. Bonds2

About 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine

4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine (PubChem CID 167126757) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine
PubChem CID167126757
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(Nc2nc3c(Cl)cc(Cl)cc3[nH]2)cc2[nH]ccc12
InChIInChI=1S/C16H12Cl2N4/c1-8-4-10(7-13-11(8)2-3-19-13)20-16-21-14-6-9(17)5-12(18)15(14)22-16/h2-7,19H,1H3,(H2,20,21,22)
InChIKeyRRHFTKWVTQNPSV-UHFFFAOYSA-N
XLogP5.40
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine (CID 167126757) is 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine is Cc1cc(Nc2nc3c(Cl)cc(Cl)cc3[nH]2)cc2[nH]ccc12.
What is the InChIKey of 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine?
The InChIKey is RRHFTKWVTQNPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c1-8-4-10(7-13-11(8)2-3-19-13)20-16-21-14-6-9(17)5-12(18)15(14)22-16/h2-7,19H,1H3,(H2,20,21,22).
What are the key properties of 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine?
4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine has a molecular weight of 331.21 g/mol, XLogP of 5.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 167126757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).