2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole

C21H13ClN2 — CID 10449221

IUPAC2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESClc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H13ClN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(H,23,24)
InChIKeyWANOSZNOBPFLFO-UHFFFAOYSA-N
MW328.80 g/mol
LogP6.19
Rot. Bonds1

About 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole

2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 10449221) has the molecular formula C21H13ClN2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole
PubChem CID10449221
Molecular FormulaC21H13ClN2
Molecular Weight328.80 g/mol
Exact Mass328.08
IUPAC Name2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESClc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H13ClN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(H,23,24)
InChIKeyWANOSZNOBPFLFO-UHFFFAOYSA-N
XLogP6.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile
CID 16070041
4-(3H-Naphtho[1,2-d]imidazol-2-yl)-phenylamine
CID 24747023
2-{3'-[Amino(imino)methyl]biphenyl-4-YL}-1H-benzimidazole-5-carboximidamide
CID 11523228
2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
CID 11705274
2-(6-chloro-9-(3-hydroxy-3-methylbutyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
CID 11712400
2-(naphthalen-1-yl)-1H-1,3-benzodiazole
CID 286183
2-(2-Chlorophenyl)-4-methyl-1H-benzimidazole
CID 11160865
2-{4'-[amino(Imino)methyl]biphenyl-3-Yl}-1h-Benzimidazole-6-Carboximidamide
CID 11221963
2-(6-chloro-9-((1-hydroxycyclopentyl)ethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
CID 11562170
2-(2,6-dichlorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 1981993
4-((1H-Naphtho[2,3-d]imidazol-2-yl)methyl)aniline
CID 1084684
2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 10115148

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole (CID 10449221) is 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole is Clc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is WANOSZNOBPFLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole?
2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 328.80 g/mol, XLogP of 6.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 10449221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).