2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole

C18H13F4N5 — CID 20811977

IUPAC2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole
SMILESCn1c(Cn2ccnc2-c2ncccc2F)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H13F4N5/c1-26-14-9-11(18(20,21)22)4-5-13(14)25-15(26)10-27-8-7-24-17(27)16-12(19)3-2-6-23-16/h2-9H,10H2,1H3
InChIKeyVUVQHFVBXFKZPR-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.04
Rot. Bonds3

About 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole

2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole (PubChem CID 20811977) has the molecular formula C18H13F4N5 and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole
PubChem CID20811977
Molecular FormulaC18H13F4N5
Molecular Weight375.33 g/mol
Exact Mass375.11
IUPAC Name2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole
SMILESCn1c(Cn2ccnc2-c2ncccc2F)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H13F4N5/c1-26-14-9-11(18(20,21)22)4-5-13(14)25-15(26)10-27-8-7-24-17(27)16-12(19)3-2-6-23-16/h2-9H,10H2,1H3
InChIKeyVUVQHFVBXFKZPR-UHFFFAOYSA-N
XLogP4.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)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

1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
CID 22379935
3-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542838
3-cyclopropyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[4,5-c]pyridine
CID 150464587
2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847994
2-[[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine
CID 142149669
2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20811941
5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812018
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole
CID 56741267
2-[[4-[2-fluoro-5-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25008790
2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
CID 130181953

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole (CID 20811977) is 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole is Cn1c(Cn2ccnc2-c2ncccc2F)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole?
The InChIKey is VUVQHFVBXFKZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5/c1-26-14-9-11(18(20,21)22)4-5-13(14)25-15(26)10-27-8-7-24-17(27)16-12(19)3-2-6-23-16/h2-9H,10H2,1H3.
What are the key properties of 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole?
2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole has a molecular weight of 375.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 20811977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).