6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

C28H24N6O2 — CID 14666426

IUPAC6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(-c4ccc5nc(Nc6ccc(OC)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C28H24N6O2/c1-35-21-9-5-19(6-10-21)29-27-31-23-13-3-17(15-25(23)33-27)18-4-14-24-26(16-18)34-28(32-24)30-20-7-11-22(36-2)12-8-20/h3-16H,1-2H3,(H2,29,31,33)(H2,30,32,34)
InChIKeyTZWFHMXRLAPIIR-UHFFFAOYSA-N
MW476.54 g/mol
LogP6.61
Rot. Bonds7

About 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (PubChem CID 14666426) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
PubChem CID14666426
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(-c4ccc5nc(Nc6ccc(OC)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C28H24N6O2/c1-35-21-9-5-19(6-10-21)29-27-31-23-13-3-17(15-25(23)33-27)18-4-14-24-26(16-18)34-28(32-24)30-20-7-11-22(36-2)12-8-20/h3-16H,1-2H3,(H2,29,31,33)(H2,30,32,34)
InChIKeyTZWFHMXRLAPIIR-UHFFFAOYSA-N
XLogP6.61
TPSA99.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
4-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]benzoic acid
CID 145066753
6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine
CID 110375259
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
CID 82562597
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
CID 23575380
methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
CID 82563265

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (CID 14666426) is 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is COc1ccc(Nc2nc3ccc(-c4ccc5nc(Nc6ccc(OC)cc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The InChIKey is TZWFHMXRLAPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-35-21-9-5-19(6-10-21)29-27-31-23-13-3-17(15-25(23)33-27)18-4-14-24-26(16-18)34-28(32-24)30-20-7-11-22(36-2)12-8-20/h3-16H,1-2H3,(H2,29,31,33)(H2,30,32,34).
What are the key properties of 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine has a molecular weight of 476.54 g/mol, XLogP of 6.61, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 14666426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).