N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

C17H21N3O — CID 119060884

IUPACN-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H21N3O/c1-2-16(11-20-8-7-18-12-20)19-17(21)15-9-13-5-3-4-6-14(13)10-15/h3-8,12,15-16H,2,9-11H2,1H3,(H,19,21)
InChIKeyLEZSELFWDNYQRF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.19
Rot. Bonds5

About N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 119060884) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID119060884
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H21N3O/c1-2-16(11-20-8-7-18-12-20)19-17(21)15-9-13-5-3-4-6-14(13)10-15/h3-8,12,15-16H,2,9-11H2,1H3,(H,19,21)
InChIKeyLEZSELFWDNYQRF-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894254
N-(1-imidazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119856864
3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
CID 126436612
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
2-[(2-chlorophenyl)methylsulfanyl]-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 46988632
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
CID 56744427
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51079761
N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131948618
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 119060884) is N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is CCC(Cn1ccnc1)NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is LEZSELFWDNYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-16(11-20-8-7-18-12-20)19-17(21)15-9-13-5-3-4-6-14(13)10-15/h3-8,12,15-16H,2,9-11H2,1H3,(H,19,21).
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 119060884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).