2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride

C28H25ClN10 — CID 54599643

IUPAC2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride
SMILESCl.Nc1c(-c2nc3ccc(C4=NCCN4)cc3[nH]2)[nH]c2cc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)ccc12
InChIInChI=1S/C28H24N10.ClH/c29-23-17-4-1-16(27-35-18-5-2-14(12-21(18)37-27)25-30-7-8-31-25)11-20(17)34-24(23)28-36-19-6-3-15(13-22(19)38-28)26-32-9-10-33-26;/h1-6,11-13,34H,7-10,29H2,(H,30,31)(H,32,33)(H,35,37)(H,36,38);1H
InChIKeyUPQZGOISOZAEMQ-UHFFFAOYSA-N
MW537.03 g/mol
LogP3.96
Rot. Bonds4

About 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride

2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride (PubChem CID 54599643) has the molecular formula C28H25ClN10 and a molecular weight of 537.03 g/mol. Its IUPAC name is 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride.

Molecular Properties

Compound Name2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride
PubChem CID54599643
Molecular FormulaC28H25ClN10
Molecular Weight537.03 g/mol
Exact Mass536.20
IUPAC Name2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride
SMILESCl.Nc1c(-c2nc3ccc(C4=NCCN4)cc3[nH]2)[nH]c2cc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)ccc12
InChIInChI=1S/C28H24N10.ClH/c29-23-17-4-1-16(27-35-18-5-2-14(12-21(18)37-27)25-30-7-8-31-25)11-20(17)34-24(23)28-36-19-6-3-15(13-22(19)38-28)26-32-9-10-33-26;/h1-6,11-13,34H,7-10,29H2,(H,30,31)(H,32,33)(H,35,37)(H,36,38);1H
InChIKeyUPQZGOISOZAEMQ-UHFFFAOYSA-N
XLogP3.96
TPSA147.95 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.03
LogP ≤ 53.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine;hydrochloride
CID 164713900
2-nitroso-4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]aniline
CID 167006725
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
3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid
CID 4915600
2-[6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]acetaldehyde;dihydrochloride
CID 10388717
4-chloro-3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride
CID 171348051
4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
CID 131857120
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
6-(4,5-dihydro-1H-imidazol-2-yl)-3-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]propan-2-yl]-1H-indole
CID 134131009
4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]aniline;hydrate;hydrochloride
CID 118713163
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride?
The IUPAC name of 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride (CID 54599643) is 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride.
What is the SMILES notation for 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride?
The canonical SMILES for 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride is Cl.Nc1c(-c2nc3ccc(C4=NCCN4)cc3[nH]2)[nH]c2cc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)ccc12.
What is the InChIKey of 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride?
The InChIKey is UPQZGOISOZAEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N10.ClH/c29-23-17-4-1-16(27-35-18-5-2-14(12-21(18)37-27)25-30-7-8-31-25)11-20(17)34-24(23)28-36-19-6-3-15(13-22(19)38-28)26-32-9-10-33-26;/h1-6,11-13,34H,7-10,29H2,(H,30,31)(H,32,33)(H,35,37)(H,36,38);1H.
What are the key properties of 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride?
2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride has a molecular weight of 537.03 g/mol, XLogP of 3.96, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride is sourced from PubChem (CID 54599643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).