6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride

C21H20ClN7 — CID 54607896

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride
SMILESCl.c1cc2nc(-c3ccc4cc(C5=NCCN5)[nH]c4c3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C21H19N7.ClH/c1-2-14(10-16-12(1)9-18(26-16)21-24-7-8-25-21)20-27-15-4-3-13(11-17(15)28-20)19-22-5-6-23-19;/h1-4,9-11,26H,5-8H2,(H,22,23)(H,24,25)(H,27,28);1H
InChIKeySWTOCEPPAGKDKW-UHFFFAOYSA-N
MW405.89 g/mol
LogP2.83
Rot. Bonds3

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride (PubChem CID 54607896) has the molecular formula C21H20ClN7 and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride
PubChem CID54607896
Molecular FormulaC21H20ClN7
Molecular Weight405.89 g/mol
Exact Mass405.15
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride
SMILESCl.c1cc2nc(-c3ccc4cc(C5=NCCN5)[nH]c4c3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C21H19N7.ClH/c1-2-14(10-16-12(1)9-18(26-16)21-24-7-8-25-21)20-27-15-4-3-13(11-17(15)28-20)19-22-5-6-23-19;/h1-4,9-11,26H,5-8H2,(H,22,23)(H,24,25)(H,27,28);1H
InChIKeySWTOCEPPAGKDKW-UHFFFAOYSA-N
XLogP2.83
TPSA93.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride with MolForge

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Related Compounds

2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride
CID 54599643
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CID 164713900
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride
CID 54600615
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole
CID 46228784
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole
CID 54187477
2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzothiophen-2-yl]-1H-indole
CID 89496016
2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]-1H-indole
CID 89496041
3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid
CID 4915600
2-nitroso-4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]aniline
CID 167006725
6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole
CID 118707015
acetic acid;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
CID 89487194
4-chloro-3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride
CID 171348051

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride (CID 54607896) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride is Cl.c1cc2nc(-c3ccc4cc(C5=NCCN5)[nH]c4c3)[nH]c2cc1C1=NCCN1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride?
The InChIKey is SWTOCEPPAGKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7.ClH/c1-2-14(10-16-12(1)9-18(26-16)21-24-7-8-25-21)20-27-15-4-3-13(11-17(15)28-20)19-22-5-6-23-19;/h1-4,9-11,26H,5-8H2,(H,22,23)(H,24,25)(H,27,28);1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 2.83, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 54607896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).