4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine

C23H29Cl2N3 — CID 58012338

IUPAC4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine
SMILESCCCC(CCC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3C)n(C)c12
InChIInChI=1S/C23H29Cl2N3/c1-6-8-16(9-7-2)18-10-11-19(25)21-22(18)28(5)23(27-21)26-20-14(3)12-17(24)13-15(20)4/h10-13,16H,6-9H2,1-5H3,(H,26,27)
InChIKeyLXOWKPYWILCSLK-UHFFFAOYSA-N
MW418.41 g/mol
LogP7.92
Rot. Bonds7

About 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine

4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine (PubChem CID 58012338) has the molecular formula C23H29Cl2N3 and a molecular weight of 418.41 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine
PubChem CID58012338
Molecular FormulaC23H29Cl2N3
Molecular Weight418.41 g/mol
Exact Mass417.17
IUPAC Name4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine
SMILESCCCC(CCC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3C)n(C)c12
InChIInChI=1S/C23H29Cl2N3/c1-6-8-16(9-7-2)18-10-11-19(25)21-22(18)28(5)23(27-21)26-20-14(3)12-17(24)13-15(20)4/h10-13,16H,6-9H2,1-5H3,(H,26,27)
InChIKeyLXOWKPYWILCSLK-UHFFFAOYSA-N
XLogP7.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine?
The IUPAC name of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine (CID 58012338) is 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine?
The canonical SMILES for 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine is CCCC(CCC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3C)n(C)c12.
What is the InChIKey of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine?
The InChIKey is LXOWKPYWILCSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3/c1-6-8-16(9-7-2)18-10-11-19(25)21-22(18)28(5)23(27-21)26-20-14(3)12-17(24)13-15(20)4/h10-13,16H,6-9H2,1-5H3,(H,26,27).
What are the key properties of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine?
4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine has a molecular weight of 418.41 g/mol, XLogP of 7.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2,6-dimethylphenyl)-7-heptan-4-yl-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 58012338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).