N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide

C16H19N3O2 — CID 138024753

IUPACN-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c(C)[nH]1
InChIInChI=1S/C16H19N3O2/c1-9-14(18-10(2)17-9)16(21)19-15-12-6-4-3-5-11(12)7-8-13(15)20/h3-6,13,15,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/t13-,15+/m1/s1
InChIKeyFLHGQUCASHHPAW-HIFRSBDPSA-N
MW285.35 g/mol
LogP1.80
Rot. Bonds2

About N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide

N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide (PubChem CID 138024753) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
PubChem CID138024753
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c(C)[nH]1
InChIInChI=1S/C16H19N3O2/c1-9-14(18-10(2)17-9)16(21)19-15-12-6-4-3-5-11(12)7-8-13(15)20/h3-6,13,15,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/t13-,15+/m1/s1
InChIKeyFLHGQUCASHHPAW-HIFRSBDPSA-N
XLogP1.80
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea
CID 138025616
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide
CID 138036603
2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide
CID 136587051
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-2-carboxamide
CID 62339488
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide
CID 23398433
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 111829594
5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide
CID 164637052
4-acetyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 110906536
N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 139750970
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide (CID 138024753) is N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide is Cc1nc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c(C)[nH]1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide?
The InChIKey is FLHGQUCASHHPAW-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-14(18-10(2)17-9)16(21)19-15-12-6-4-3-5-11(12)7-8-13(15)20/h3-6,13,15,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/t13-,15+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide?
N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138024753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).