N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide

C34H23N7O — CID 177417109

IUPACN-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(-c3nc4ccc(-c5nc6cc(-c7ccccc7)ccc6[nH]5)cc4[nH]3)cc2[nH]1)c1ccccc1
InChIInChI=1S/C34H23N7O/c42-33(21-9-5-2-6-10-21)41-34-39-27-16-13-24(19-30(27)40-34)32-36-26-15-12-23(18-29(26)38-32)31-35-25-14-11-22(17-28(25)37-31)20-7-3-1-4-8-20/h1-19H,(H,35,37)(H,36,38)(H2,39,40,41,42)
InChIKeyPOPSWCMENGPKKT-UHFFFAOYSA-N
MW545.61 g/mol
LogP7.57
Rot. Bonds5

About N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide

N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide (PubChem CID 177417109) has the molecular formula C34H23N7O and a molecular weight of 545.61 g/mol. Its IUPAC name is N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide
PubChem CID177417109
Molecular FormulaC34H23N7O
Molecular Weight545.61 g/mol
Exact Mass545.20
IUPAC NameN-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(-c3nc4ccc(-c5nc6cc(-c7ccccc7)ccc6[nH]5)cc4[nH]3)cc2[nH]1)c1ccccc1
InChIInChI=1S/C34H23N7O/c42-33(21-9-5-2-6-10-21)41-34-39-27-16-13-24(19-30(27)40-34)32-36-26-15-12-23(18-29(26)38-32)31-35-25-14-11-22(17-28(25)37-31)20-7-3-1-4-8-20/h1-19H,(H,35,37)(H,36,38)(H2,39,40,41,42)
InChIKeyPOPSWCMENGPKKT-UHFFFAOYSA-N
XLogP7.57
TPSA115.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.61
LogP ≤ 57.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 168608096
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CID 53371216
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
CID 156631123
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
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bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide (CID 177417109) is N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccc(-c3nc4ccc(-c5nc6cc(-c7ccccc7)ccc6[nH]5)cc4[nH]3)cc2[nH]1)c1ccccc1.
What is the InChIKey of N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide?
The InChIKey is POPSWCMENGPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N7O/c42-33(21-9-5-2-6-10-21)41-34-39-27-16-13-24(19-30(27)40-34)32-36-26-15-12-23(18-29(26)38-32)31-35-25-14-11-22(17-28(25)37-31)20-7-3-1-4-8-20/h1-19H,(H,35,37)(H,36,38)(H2,39,40,41,42).
What are the key properties of N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide?
N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide has a molecular weight of 545.61 g/mol, XLogP of 7.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 177417109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).