8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C19H15F3N6 — CID 123890595

IUPAC8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC1Cc2c(nc3cc(-c4nn[nH]n4)ccn23)CC1c1cc(F)c(F)cc1F
InChIInChI=1S/C19H15F3N6/c1-9-4-17-16(7-11(9)12-6-14(21)15(22)8-13(12)20)23-18-5-10(2-3-28(17)18)19-24-26-27-25-19/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,24,25,26,27)
InChIKeyLUQPWNNFSQRQGM-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.45
Rot. Bonds2

About 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 123890595) has the molecular formula C19H15F3N6 and a molecular weight of 384.37 g/mol. Its IUPAC name is 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID123890595
Molecular FormulaC19H15F3N6
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC1Cc2c(nc3cc(-c4nn[nH]n4)ccn23)CC1c1cc(F)c(F)cc1F
InChIInChI=1S/C19H15F3N6/c1-9-4-17-16(7-11(9)12-6-14(21)15(22)8-13(12)20)23-18-5-10(2-3-28(17)18)19-24-26-27-25-19/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,24,25,26,27)
InChIKeyLUQPWNNFSQRQGM-UHFFFAOYSA-N
XLogP3.45
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
L-158809
CID 183134
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FK-739 free acid
CID 9801627
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
Zagociguat
CID 134304734

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 123890595) is 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is CC1Cc2c(nc3cc(-c4nn[nH]n4)ccn23)CC1c1cc(F)c(F)cc1F.
What is the InChIKey of 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is LUQPWNNFSQRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6/c1-9-4-17-16(7-11(9)12-6-14(21)15(22)8-13(12)20)23-18-5-10(2-3-28(17)18)19-24-26-27-25-19/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,24,25,26,27).
What are the key properties of 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 384.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2H-tetrazol-5-yl)-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 123890595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).