3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole

C20H14N2S — CID 879984

IUPAC3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole
SMILESCn1c(-c2cccs2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C20H14N2S/c1-22-19-16-10-5-3-8-14(16)13-7-2-4-9-15(13)18(19)21-20(22)17-11-6-12-23-17/h2-12H,1H3
InChIKeyWQHLKSNGFKDNFU-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.61
Rot. Bonds1

About 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole

3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole (PubChem CID 879984) has the molecular formula C20H14N2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole
PubChem CID879984
Molecular FormulaC20H14N2S
Molecular Weight314.41 g/mol
Exact Mass314.09
IUPAC Name3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole
SMILESCn1c(-c2cccs2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C20H14N2S/c1-22-19-16-10-5-3-8-14(16)13-7-2-4-9-15(13)18(19)21-20(22)17-11-6-12-23-17/h2-12H,1H3
InChIKeyWQHLKSNGFKDNFU-UHFFFAOYSA-N
XLogP5.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(5,6-Dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 52918390
7-(5,6-Dimethyl-2-thiophen-3-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607902
2-(2-thienyl)-1H-phenanthro[9,10-d]imidazole
CID 302174
1-[(2-methylphenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962311
5-(1-methyl-1H-phenanthro[9,10-d]imidazol-2-yl)-2-thiophenecarbaldehyde
CID 875407
5-Methyl-6-(thiophen-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 3794060
5-Ethyl-6-(thiophen-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 3962105
3-(3,4-Dimethylphenyl)-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
CID 16196165
1-(3-methylbenzyl)-2-thien-2-yl-1H-benzimidazole
CID 709502
N,N,2,6-tetramethyl-4-(3-methylbenzo[e]benzimidazol-2-yl)aniline
CID 44370912
4-[2-[5-(4-Carbamimidoylphenyl)-2-thienyl]-1-methyl-benzimidazol-5-yl]benzamidine
CID 138556048
1-(2,5-dimethylbenzyl)-2-(thiophen-2-yl)-1H-benzimidazole
CID 7728393

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole?
The IUPAC name of 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole (CID 879984) is 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole?
The canonical SMILES for 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole is Cn1c(-c2cccs2)nc2c3ccccc3c3ccccc3c21.
What is the InChIKey of 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole?
The InChIKey is WQHLKSNGFKDNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S/c1-22-19-16-10-5-3-8-14(16)13-7-2-4-9-15(13)18(19)21-20(22)17-11-6-12-23-17/h2-12H,1H3.
What are the key properties of 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole?
3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole has a molecular weight of 314.41 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-ylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 879984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).