2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole

C18H11F3N2O — CID 155599071

IUPAC2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C18H11F3N2O/c19-18(20,21)24-12-8-9-15-16(10-12)23-17(22-15)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,22,23)
InChIKeyCYNPRVPNOGBOBI-UHFFFAOYSA-N
MW328.29 g/mol
LogP5.28
Rot. Bonds2

About 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole

2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole (PubChem CID 155599071) has the molecular formula C18H11F3N2O and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole
PubChem CID155599071
Molecular FormulaC18H11F3N2O
Molecular Weight328.29 g/mol
Exact Mass328.08
IUPAC Name2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C18H11F3N2O/c19-18(20,21)24-12-8-9-15-16(10-12)23-17(22-15)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,22,23)
InChIKeyCYNPRVPNOGBOBI-UHFFFAOYSA-N
XLogP5.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554031
bis(2-(5-ethoxy-2-pyridinyl)-6-(trifluoromethoxy)-1H-benzimidazole);yttrium
CID 161029747
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
methyl 2-anthracen-1-yl-3H-benzimidazole-5-carboxylate
CID 175322054
2-(4-nitro-1H-pyrazol-5-yl)-6-(trifluoromethoxy)-1H-benzimidazole
CID 135804578
2-methylsulfonyl-6-(trifluoromethoxy)-1H-benzimidazole
CID 11507419
[(3S)-4-(5-methoxy-2-pyridinyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanol
CID 67411139
2-(2,3-difluorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
CID 90960675
2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 65017722

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole?
The IUPAC name of 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole (CID 155599071) is 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole.
What is the SMILES notation for 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole?
The canonical SMILES for 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole is FC(F)(F)Oc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.
What is the InChIKey of 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole?
The InChIKey is CYNPRVPNOGBOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O/c19-18(20,21)24-12-8-9-15-16(10-12)23-17(22-15)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,22,23).
What are the key properties of 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole?
2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole has a molecular weight of 328.29 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole is sourced from PubChem (CID 155599071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).