(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one

C13H12N2O — CID 70456642

IUPAC(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one
SMILESC[C@@H]1c2ccccc2C(=O)[C@H]1n1ccnc1
InChIInChI=1S/C13H12N2O/c1-9-10-4-2-3-5-11(10)13(16)12(9)15-7-6-14-8-15/h2-9,12H,1H3/t9-,12+/m1/s1
InChIKeyWPPVLZXCPGRMQP-SKDRFNHKSA-N
MW212.25 g/mol
LogP2.42
Rot. Bonds1

About (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one

(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one (PubChem CID 70456642) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one
PubChem CID70456642
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one
SMILESC[C@@H]1c2ccccc2C(=O)[C@H]1n1ccnc1
InChIInChI=1S/C13H12N2O/c1-9-10-4-2-3-5-11(10)13(16)12(9)15-7-6-14-8-15/h2-9,12H,1H3/t9-,12+/m1/s1
InChIKeyWPPVLZXCPGRMQP-SKDRFNHKSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
CID 125481336
6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
CID 23322010
3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
CID 123539501
1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole
CID 177441763
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 10534997
3-chloro-2-methyl-2,3-dihydroinden-1-one
CID 14291532
1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole
CID 67546726
6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one
CID 134097961
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 28793311
4-imidazol-1-yl-1,3,3-trimethyl-4H-2λ6,1-benzothiazine 2,2-dioxide
CID 141210698

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one?
The IUPAC name of (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one (CID 70456642) is (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one is C[C@@H]1c2ccccc2C(=O)[C@H]1n1ccnc1.
What is the InChIKey of (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one?
The InChIKey is WPPVLZXCPGRMQP-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-10-4-2-3-5-11(10)13(16)12(9)15-7-6-14-8-15/h2-9,12H,1H3/t9-,12+/m1/s1.
What are the key properties of (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one?
(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 70456642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).