1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide

C36H28N6O4 — CID 67686682

IUPAC1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(=O)Nc5ccc6nc(-c7ccc(OC)cc7)[nH]c6c5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C36H28N6O4/c1-45-27-13-7-21(8-14-27)33-39-29-17-11-25(19-31(29)41-33)37-35(43)23-3-5-24(6-4-23)36(44)38-26-12-18-30-32(20-26)42-34(40-30)22-9-15-28(46-2)16-10-22/h3-20H,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKeyBWYNDMXNUBYYMI-UHFFFAOYSA-N
MW608.66 g/mol
LogP7.30
Rot. Bonds8

About 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide (PubChem CID 67686682) has the molecular formula C36H28N6O4 and a molecular weight of 608.66 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide
PubChem CID67686682
Molecular FormulaC36H28N6O4
Molecular Weight608.66 g/mol
Exact Mass608.22
IUPAC Name1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(=O)Nc5ccc6nc(-c7ccc(OC)cc7)[nH]c6c5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C36H28N6O4/c1-45-27-13-7-21(8-14-27)33-39-29-17-11-25(19-31(29)41-33)37-35(43)23-3-5-24(6-4-23)36(44)38-26-12-18-30-32(20-26)42-34(40-30)22-9-15-28(46-2)16-10-22/h3-20H,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKeyBWYNDMXNUBYYMI-UHFFFAOYSA-N
XLogP7.30
TPSA134.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.66
LogP ≤ 57.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

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CID 10423087
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N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
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Hoe 32021
CID 10071840
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CID 20703880
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
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CID 44565808
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N-(1-(4-methoxyphenethyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-4-cyanobenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide (CID 67686682) is 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide is COc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(=O)Nc5ccc6nc(-c7ccc(OC)cc7)[nH]c6c5)cc4)cc3[nH]2)cc1.
What is the InChIKey of 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide?
The InChIKey is BWYNDMXNUBYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N6O4/c1-45-27-13-7-21(8-14-27)33-39-29-17-11-25(19-31(29)41-33)37-35(43)23-3-5-24(6-4-23)36(44)38-26-12-18-30-32(20-26)42-34(40-30)22-9-15-28(46-2)16-10-22/h3-20H,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42).
What are the key properties of 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide has a molecular weight of 608.66 g/mol, XLogP of 7.30, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 67686682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).