2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole

C24H19N3 — CID 143655533

IUPAC2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole
SMILESCc1ccc2c3c(c4ccccc4c2c1)NC(c1c[nH]c2ccccc12)N3
InChIInChI=1S/C24H19N3/c1-14-10-11-18-19(12-14)15-6-2-3-8-17(15)22-23(18)27-24(26-22)20-13-25-21-9-5-4-7-16(20)21/h2-13,24-27H,1H3
InChIKeyVUUBRMFULSIYRW-UHFFFAOYSA-N
MW349.44 g/mol
LogP6.32
Rot. Bonds1

About 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole

2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole (PubChem CID 143655533) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole
PubChem CID143655533
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole
SMILESCc1ccc2c3c(c4ccccc4c2c1)NC(c1c[nH]c2ccccc12)N3
InChIInChI=1S/C24H19N3/c1-14-10-11-18-19(12-14)15-6-2-3-8-17(15)22-23(18)27-24(26-22)20-13-25-21-9-5-4-7-16(20)21/h2-13,24-27H,1H3
InChIKeyVUUBRMFULSIYRW-UHFFFAOYSA-N
XLogP6.32
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyltriphenylene
CID 23261750
ethane;2-methyltriphenylene
CID 91569125
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
4-(6-methyl-1H-indol-3-yl)piperidin-1-amine
CID 90932257
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-cyclopropyl-7-methyl-1H-quinolin-4-one
CID 156532948
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline
CID 132537219
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
CID 88972587
3,5-dimethyl-1H-indole
CID 142943492

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole (CID 143655533) is 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole is Cc1ccc2c3c(c4ccccc4c2c1)NC(c1c[nH]c2ccccc12)N3.
What is the InChIKey of 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole?
The InChIKey is VUUBRMFULSIYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-14-10-11-18-19(12-14)15-6-2-3-8-17(15)22-23(18)27-24(26-22)20-13-25-21-9-5-4-7-16(20)21/h2-13,24-27H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole?
2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole has a molecular weight of 349.44 g/mol, XLogP of 6.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 143655533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).