2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine

C32H23Br2N5 — CID 89232049

IUPAC2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
SMILESBrc1ccc2c(c1)C(c1nc3c4cc(NCc5c[nH]c6ccc(Br)cc56)ccc4c4ccccc4c3[nH]1)CN2
InChIInChI=1S/C32H23Br2N5/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29/h1-13,15,27,35-37H,14,16H2,(H,38,39)
InChIKeyYNRJYZPIWSSAOO-UHFFFAOYSA-N
MW637.38 g/mol
LogP9.05
Rot. Bonds4

About 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine

2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine (PubChem CID 89232049) has the molecular formula C32H23Br2N5 and a molecular weight of 637.38 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
PubChem CID89232049
Molecular FormulaC32H23Br2N5
Molecular Weight637.38 g/mol
Exact Mass635.03
IUPAC Name2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
SMILESBrc1ccc2c(c1)C(c1nc3c4cc(NCc5c[nH]c6ccc(Br)cc56)ccc4c4ccccc4c3[nH]1)CN2
InChIInChI=1S/C32H23Br2N5/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29/h1-13,15,27,35-37H,14,16H2,(H,38,39)
InChIKeyYNRJYZPIWSSAOO-UHFFFAOYSA-N
XLogP9.05
TPSA68.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.38
LogP ≤ 59.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine with MolForge

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Related Compounds

Nortopsentin A
CID 179268
3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
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2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
1-[[4-[2-(5-chloro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
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2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 135430779
1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
CID 135971364
5-Bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
CID 1099092
5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 1253579
2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393495
5-bromo-2-[3-[(4-phenylphenyl)methyl]imidazol-4-yl]-1H-indole
CID 145959475
1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 44563174
6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
CID 57400200

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine (CID 89232049) is 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine is Brc1ccc2c(c1)C(c1nc3c4cc(NCc5c[nH]c6ccc(Br)cc56)ccc4c4ccccc4c3[nH]1)CN2.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine?
The InChIKey is YNRJYZPIWSSAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Br2N5/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29/h1-13,15,27,35-37H,14,16H2,(H,38,39).
What are the key properties of 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine?
2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine has a molecular weight of 637.38 g/mol, XLogP of 9.05, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine is sourced from PubChem (CID 89232049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).