N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide

C16H18N4O — CID 71865171

IUPACN-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2[nH]ccc2c1)Cn1ccnc1
InChIInChI=1S/C16H18N4O/c1-12(10-20-7-6-17-11-20)9-19-16(21)14-2-3-15-13(8-14)4-5-18-15/h2-8,11-12,18H,9-10H2,1H3,(H,19,21)
InChIKeyATOZTFLLAOOZOA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.43
Rot. Bonds5

About N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide

N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide (PubChem CID 71865171) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide
PubChem CID71865171
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2[nH]ccc2c1)Cn1ccnc1
InChIInChI=1S/C16H18N4O/c1-12(10-20-7-6-17-11-20)9-19-16(21)14-2-3-15-13(8-14)4-5-18-15/h2-8,11-12,18H,9-10H2,1H3,(H,19,21)
InChIKeyATOZTFLLAOOZOA-UHFFFAOYSA-N
XLogP2.43
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide
CID 96570316
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
CID 124589580
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-2H-chromene-3-carboxamide
CID 124589802
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
CID 55257824
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96570332
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-5-methylsulfanyl-2-nitrobenzamide
CID 95774697
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide (CID 71865171) is N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide is CC(CNC(=O)c1ccc2[nH]ccc2c1)Cn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide?
The InChIKey is ATOZTFLLAOOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(10-20-7-6-17-11-20)9-19-16(21)14-2-3-15-13(8-14)4-5-18-15/h2-8,11-12,18H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide?
N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 71865171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).