2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole

C22H19F3N2 — CID 46310556

IUPAC2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCC(C)n1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H19F3N2/c1-14(2)27-20-11-10-17(22(23,24)25)13-19(20)26-21(27)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,13-14H,12H2,1-2H3
InChIKeyDKAWTYLBEUTTDZ-UHFFFAOYSA-N
MW368.40 g/mol
LogP6.38
Rot. Bonds3

About 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole

2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310556) has the molecular formula C22H19F3N2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID46310556
Molecular FormulaC22H19F3N2
Molecular Weight368.40 g/mol
Exact Mass368.15
IUPAC Name2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCC(C)n1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H19F3N2/c1-14(2)27-20-11-10-17(22(23,24)25)13-19(20)26-21(27)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,13-14H,12H2,1-2H3
InChIKeyDKAWTYLBEUTTDZ-UHFFFAOYSA-N
XLogP6.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole (CID 46310556) is 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole is CC(C)n1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is DKAWTYLBEUTTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2/c1-14(2)27-20-11-10-17(22(23,24)25)13-19(20)26-21(27)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 368.40 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).