1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole

C20H20N6 — CID 95130862

IUPAC1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole
SMILESCc1cnccc1-n1nc(C2CC2)nc1[C@@H](C)n1cnc2ccccc21
InChIInChI=1S/C20H20N6/c1-13-11-21-10-9-17(13)26-20(23-19(24-26)15-7-8-15)14(2)25-12-22-16-5-3-4-6-18(16)25/h3-6,9-12,14-15H,7-8H2,1-2H3/t14-/m1/s1
InChIKeySHWSUAWCEDPPOI-CQSZACIVSA-N
MW344.42 g/mol
LogP3.81
Rot. Bonds4

About 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole

1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole (PubChem CID 95130862) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole
PubChem CID95130862
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole
SMILESCc1cnccc1-n1nc(C2CC2)nc1[C@@H](C)n1cnc2ccccc21
InChIInChI=1S/C20H20N6/c1-13-11-21-10-9-17(13)26-20(23-19(24-26)15-7-8-15)14(2)25-12-22-16-5-3-4-6-18(16)25/h3-6,9-12,14-15H,7-8H2,1-2H3/t14-/m1/s1
InChIKeySHWSUAWCEDPPOI-CQSZACIVSA-N
XLogP3.81
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole with MolForge

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Related Compounds

1-[1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole
CID 50968359
4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine
CID 50983821
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
2-[3-cyclopropyl-5-(1-phenoxyethyl)-1,2,4-triazol-1-yl]benzoic acid
CID 131951991
3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine
CID 95125083
(3R)-3-[[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95134967
6-(benzimidazol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80992517
5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 95217032
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
1-(3-methyl-4-pyridinyl)indole
CID 59685306
1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole
CID 166359652
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole?
The IUPAC name of 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole (CID 95130862) is 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole.
What is the SMILES notation for 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole?
The canonical SMILES for 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole is Cc1cnccc1-n1nc(C2CC2)nc1[C@@H](C)n1cnc2ccccc21.
What is the InChIKey of 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole?
The InChIKey is SHWSUAWCEDPPOI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N6/c1-13-11-21-10-9-17(13)26-20(23-19(24-26)15-7-8-15)14(2)25-12-22-16-5-3-4-6-18(16)25/h3-6,9-12,14-15H,7-8H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole?
1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole has a molecular weight of 344.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[5-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzimidazole is sourced from PubChem (CID 95130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).