benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium

C30H23N6O2+ — CID 175279903

IUPACbenzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium
SMILESCOc1ccc(Cc2ccc3nc(-c4cc(N=[N+]=NC(=O)c5ccccc5)cc5[nH]ccc45)[nH]c3c2)cc1
InChIInChI=1S/C30H22N6O2/c1-38-23-10-7-19(8-11-23)15-20-9-12-26-28(16-20)33-29(32-26)25-17-22(18-27-24(25)13-14-31-27)34-36-35-30(37)21-5-3-2-4-6-21/h2-14,16-18H,15H2,1H3,(H,32,33,34,35,37)/p+1
InChIKeyDBNIMOJSKLLTKG-UHFFFAOYSA-O
MW499.55 g/mol
LogP6.75
Rot. Bonds6

About benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium

benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium (PubChem CID 175279903) has the molecular formula C30H23N6O2+ and a molecular weight of 499.55 g/mol. Its IUPAC name is benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium.

Molecular Properties

Compound Namebenzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium
PubChem CID175279903
Molecular FormulaC30H23N6O2+
Molecular Weight499.55 g/mol
Exact Mass499.19
IUPAC Namebenzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium
SMILESCOc1ccc(Cc2ccc3nc(-c4cc(N=[N+]=NC(=O)c5ccccc5)cc5[nH]ccc45)[nH]c3c2)cc1
InChIInChI=1S/C30H22N6O2/c1-38-23-10-7-19(8-11-23)15-20-9-12-26-28(16-20)33-29(32-26)25-17-22(18-27-24(25)13-14-31-27)34-36-35-30(37)21-5-3-2-4-6-21/h2-14,16-18H,15H2,1H3,(H,32,33,34,35,37)/p+1
InChIKeyDBNIMOJSKLLTKG-UHFFFAOYSA-O
XLogP6.75
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.55
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium with MolForge

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Related Compounds

1H-indol-6-ylimino-[4-(6-pyridin-3-yl-1H-benzimidazol-2-yl)benzoyl]iminoazanium
CID 174703396
(4-morpholin-4-ylphenyl)imino-[4-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzoyl]iminoazanium
CID 174690511
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
6-benzyl-1H-benzimidazole-2-carboxylic acid
CID 76845904
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
CID 82141996
methyl 2-anthracen-1-yl-3H-benzimidazole-5-carboxylate
CID 175322054
S-(6-benzyl-1H-benzimidazol-2-yl) ethanethioate
CID 21269543
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206

Frequently Asked Questions

What is the IUPAC name of benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium?
The IUPAC name of benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium (CID 175279903) is benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium.
What is the SMILES notation for benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium?
The canonical SMILES for benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium is COc1ccc(Cc2ccc3nc(-c4cc(N=[N+]=NC(=O)c5ccccc5)cc5[nH]ccc45)[nH]c3c2)cc1.
What is the InChIKey of benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium?
The InChIKey is DBNIMOJSKLLTKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H22N6O2/c1-38-23-10-7-19(8-11-23)15-20-9-12-26-28(16-20)33-29(32-26)25-17-22(18-27-24(25)13-14-31-27)34-36-35-30(37)21-5-3-2-4-6-21/h2-14,16-18H,15H2,1H3,(H,32,33,34,35,37)/p+1.
What are the key properties of benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium?
benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium has a molecular weight of 499.55 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoylimino-[[4-[6-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-yl]-1H-indol-6-yl]imino]azanium is sourced from PubChem (CID 175279903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).