4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline

C20H11F3N4 — CID 162696171

IUPAC4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline
SMILESFC(F)(F)c1c2ccccc2cc2c(-c3nc4ccccc4[nH]3)ncnc12
InChIInChI=1S/C20H11F3N4/c21-20(22,23)16-12-6-2-1-5-11(12)9-13-17(16)24-10-25-18(13)19-26-14-7-3-4-8-15(14)27-19/h1-10H,(H,26,27)
InChIKeyFKQAATULYFNHAT-UHFFFAOYSA-N
MW364.33 g/mol
LogP5.35
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline

4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline (PubChem CID 162696171) has the molecular formula C20H11F3N4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline
PubChem CID162696171
Molecular FormulaC20H11F3N4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline
SMILESFC(F)(F)c1c2ccccc2cc2c(-c3nc4ccccc4[nH]3)ncnc12
InChIInChI=1S/C20H11F3N4/c21-20(22,23)16-12-6-2-1-5-11(12)9-13-17(16)24-10-25-18(13)19-26-14-7-3-4-8-15(14)27-19/h1-10H,(H,26,27)
InChIKeyFKQAATULYFNHAT-UHFFFAOYSA-N
XLogP5.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.33
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
4-(8-tert-butylbenzo[f][1]benzothiol-6-yl)-10-(trifluoromethyl)benzo[g]quinazoline
CID 163546313
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 71299224
4-(1H-benzimidazol-2-yl)pyrimidin-5-ol
CID 136748891
1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
CID 132601824
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555452
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555765
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline (CID 162696171) is 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline is FC(F)(F)c1c2ccccc2cc2c(-c3nc4ccccc4[nH]3)ncnc12.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline?
The InChIKey is FKQAATULYFNHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4/c21-20(22,23)16-12-6-2-1-5-11(12)9-13-17(16)24-10-25-18(13)19-26-14-7-3-4-8-15(14)27-19/h1-10H,(H,26,27).
What are the key properties of 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline?
4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline has a molecular weight of 364.33 g/mol, XLogP of 5.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline is sourced from PubChem (CID 162696171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).