N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide

C20H19N3O2 — CID 141366489

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1-n1ccnc1
InChIInChI=1S/C20H19N3O2/c1-13-6-7-15(10-17(13)23-9-8-21-12-23)20(25)22-19-16-5-3-2-4-14(16)11-18(19)24/h2-10,12,18-19,24H,11H2,1H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyQARJJCXNZBEKOQ-RBUKOAKNSA-N
MW333.39 g/mol
LogP2.57
Rot. Bonds3

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide (PubChem CID 141366489) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
PubChem CID141366489
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1-n1ccnc1
InChIInChI=1S/C20H19N3O2/c1-13-6-7-15(10-17(13)23-9-8-21-12-23)20(25)22-19-16-5-3-2-4-14(16)11-18(19)24/h2-10,12,18-19,24H,11H2,1H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyQARJJCXNZBEKOQ-RBUKOAKNSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
CID 141366491
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-4-nitrobenzamide
CID 78893635
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-indazole-5-carboxamide
CID 110903518
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 139006797
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide (CID 141366489) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1-n1ccnc1.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide?
The InChIKey is QARJJCXNZBEKOQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-6-7-15(10-17(13)23-9-8-21-12-23)20(25)22-19-16-5-3-2-4-14(16)11-18(19)24/h2-10,12,18-19,24H,11H2,1H3,(H,22,25)/t18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide is sourced from PubChem (CID 141366489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).