(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride

C19H23ClN6O — CID 154898704

IUPAC(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
SMILESCl.O[C@H]1Cc2ccccc2[C@H]1n1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22N6O.ClH/c26-17-11-13-3-1-2-4-15(13)18(17)24-10-9-21-19(24)16-12-25(23-22-16)14-5-7-20-8-6-14;/h1-4,9-10,12,14,17-18,20,26H,5-8,11H2;1H/t17-,18+;/m0./s1
InChIKeySQDJXYSTEDCJTE-CJRXIRLBSA-N
MW386.89 g/mol
LogP1.99
Rot. Bonds3

About (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride

(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride (PubChem CID 154898704) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
PubChem CID154898704
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
SMILESCl.O[C@H]1Cc2ccccc2[C@H]1n1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22N6O.ClH/c26-17-11-13-3-1-2-4-15(13)18(17)24-10-9-21-19(24)16-12-25(23-22-16)14-5-7-20-8-6-14;/h1-4,9-10,12,14,17-18,20,26H,5-8,11H2;1H/t17-,18+;/m0./s1
InChIKeySQDJXYSTEDCJTE-CJRXIRLBSA-N
XLogP1.99
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
CID 155911838
4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride
CID 154896103
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70707181
(1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
CID 70706206
2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
CID 154896676
5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
CID 154898642
1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119727343
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
CID 154896627
4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
CID 155973122
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70780562
4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride (CID 154898704) is (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride is Cl.O[C@H]1Cc2ccccc2[C@H]1n1ccnc1-c1cn(C2CCNCC2)nn1.
What is the InChIKey of (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The InChIKey is SQDJXYSTEDCJTE-CJRXIRLBSA-N. The full InChI is InChI=1S/C19H22N6O.ClH/c26-17-11-13-3-1-2-4-15(13)18(17)24-10-9-21-19(24)16-12-25(23-22-16)14-5-7-20-8-6-14;/h1-4,9-10,12,14,17-18,20,26H,5-8,11H2;1H/t17-,18+;/m0./s1.
What are the key properties of (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride?
(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride has a molecular weight of 386.89 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride is sourced from PubChem (CID 154898704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).