2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine

C26H29ClN4O2 — CID 58896411

IUPAC2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine
SMILESCOc1ccc(N(c2cccc3nc(Nc4c(C)cc(Cl)cc4OC)n(C)c23)C(C)C)cc1
InChIInChI=1S/C26H29ClN4O2/c1-16(2)31(19-10-12-20(32-5)13-11-19)22-9-7-8-21-25(22)30(4)26(28-21)29-24-17(3)14-18(27)15-23(24)33-6/h7-16H,1-6H3,(H,28,29)
InChIKeyWMCIXFXVIWSRFJ-UHFFFAOYSA-N
MW465.00 g/mol
LogP6.84
Rot. Bonds7

About 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine

2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine (PubChem CID 58896411) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine
PubChem CID58896411
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine
SMILESCOc1ccc(N(c2cccc3nc(Nc4c(C)cc(Cl)cc4OC)n(C)c23)C(C)C)cc1
InChIInChI=1S/C26H29ClN4O2/c1-16(2)31(19-10-12-20(32-5)13-11-19)22-9-7-8-21-25(22)30(4)26(28-21)29-24-17(3)14-18(27)15-23(24)33-6/h7-16H,1-6H3,(H,28,29)
InChIKeyWMCIXFXVIWSRFJ-UHFFFAOYSA-N
XLogP6.84
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine (CID 58896411) is 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine is COc1ccc(N(c2cccc3nc(Nc4c(C)cc(Cl)cc4OC)n(C)c23)C(C)C)cc1.
What is the InChIKey of 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine?
The InChIKey is WMCIXFXVIWSRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-16(2)31(19-10-12-20(32-5)13-11-19)22-9-7-8-21-25(22)30(4)26(28-21)29-24-17(3)14-18(27)15-23(24)33-6/h7-16H,1-6H3,(H,28,29).
What are the key properties of 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine?
2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine has a molecular weight of 465.00 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-methoxyphenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine is sourced from PubChem (CID 58896411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).