1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole

C19H16FN5 — CID 166401684

IUPAC1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole
SMILESFc1cccc2c1CC[C@H]2n1cc(Cn2cnc3ccccc32)nn1
InChIInChI=1S/C19H16FN5/c20-16-5-3-4-15-14(16)8-9-18(15)25-11-13(22-23-25)10-24-12-21-17-6-1-2-7-19(17)24/h1-7,11-12,18H,8-10H2/t18-/m1/s1
InChIKeyQOQQRRXKNSWLCJ-GOSISDBHSA-N
MW333.37 g/mol
LogP3.35
Rot. Bonds3

About 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole

1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole (PubChem CID 166401684) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole
PubChem CID166401684
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole
SMILESFc1cccc2c1CC[C@H]2n1cc(Cn2cnc3ccccc32)nn1
InChIInChI=1S/C19H16FN5/c20-16-5-3-4-15-14(16)8-9-18(15)25-11-13(22-23-25)10-24-12-21-17-6-1-2-7-19(17)24/h1-7,11-12,18H,8-10H2/t18-/m1/s1
InChIKeyQOQQRRXKNSWLCJ-GOSISDBHSA-N
XLogP3.35
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole
CID 122196144
2-[4-(benzimidazol-1-ylmethyl)triazol-1-yl]acetic acid
CID 167778646
3-[6-[4-(benzimidazol-1-ylmethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167754871
1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole
CID 36543584
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056
1-[(6-propyl-2-pyridinyl)methyl]benzimidazole
CID 166263430
1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
CID 54576638
1-[(2-methyltriazol-4-yl)methyl]benzimidazole
CID 166839285
potassium benzimidazol-1-ylmethyl(trifluoro)boranuide
CID 63702827
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
CID 22285131
1-(benzimidazol-1-ylmethyl)benzotriazole;dihydrate
CID 139207286
2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407530

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole?
The IUPAC name of 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole (CID 166401684) is 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole is Fc1cccc2c1CC[C@H]2n1cc(Cn2cnc3ccccc32)nn1.
What is the InChIKey of 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole?
The InChIKey is QOQQRRXKNSWLCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16FN5/c20-16-5-3-4-15-14(16)8-9-18(15)25-11-13(22-23-25)10-24-12-21-17-6-1-2-7-19(17)24/h1-7,11-12,18H,8-10H2/t18-/m1/s1.
What are the key properties of 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole?
1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole has a molecular weight of 333.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]benzimidazole is sourced from PubChem (CID 166401684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).