5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine

C22H27Cl3N4O — CID 70909803

IUPAC5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine
SMILESCCCN(CCC)c1c(Cl)cc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
InChIInChI=1S/C22H27Cl3N4O/c1-6-8-29(9-7-2)20-16(25)12-15(24)19-21(20)28(4)22(27-19)26-18-13(3)10-14(23)11-17(18)30-5/h10-12H,6-9H2,1-5H3,(H,26,27)
InChIKeyDWSUHPBHPUZBFH-UHFFFAOYSA-N
MW469.84 g/mol
LogP7.22
Rot. Bonds8

About 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine

5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine (PubChem CID 70909803) has the molecular formula C22H27Cl3N4O and a molecular weight of 469.84 g/mol. Its IUPAC name is 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine.

Molecular Properties

Compound Name5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine
PubChem CID70909803
Molecular FormulaC22H27Cl3N4O
Molecular Weight469.84 g/mol
Exact Mass468.13
IUPAC Name5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine
SMILESCCCN(CCC)c1c(Cl)cc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
InChIInChI=1S/C22H27Cl3N4O/c1-6-8-29(9-7-2)20-16(25)12-15(24)19-21(20)28(4)22(27-19)26-18-13(3)10-14(23)11-17(18)30-5/h10-12H,6-9H2,1-5H3,(H,26,27)
InChIKeyDWSUHPBHPUZBFH-UHFFFAOYSA-N
XLogP7.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.84
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine?
The IUPAC name of 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine (CID 70909803) is 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine.
What is the SMILES notation for 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine?
The canonical SMILES for 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine is CCCN(CCC)c1c(Cl)cc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12.
What is the InChIKey of 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine?
The InChIKey is DWSUHPBHPUZBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl3N4O/c1-6-8-29(9-7-2)20-16(25)12-15(24)19-21(20)28(4)22(27-19)26-18-13(3)10-14(23)11-17(18)30-5/h10-12H,6-9H2,1-5H3,(H,26,27).
What are the key properties of 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine?
5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine has a molecular weight of 469.84 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine is sourced from PubChem (CID 70909803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).