N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

C15H18N4O — CID 80565274

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H18N4O/c1-11(9-19-7-6-16-10-19)18-15(20)13-8-17-14-5-3-2-4-12(13)14/h2-7,10-11,13,17H,8-9H2,1H3,(H,18,20)
InChIKeyHKCIMSUDBFXRPR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.60
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565274) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565274
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H18N4O/c1-11(9-19-7-6-16-10-19)18-15(20)13-8-17-14-5-3-2-4-12(13)14/h2-7,10-11,13,17H,8-9H2,1H3,(H,18,20)
InChIKeyHKCIMSUDBFXRPR-UHFFFAOYSA-N
XLogP1.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564582
N-(1-imidazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119856864
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51079761
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95309946
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80565274) is N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is CC(Cn1ccnc1)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is HKCIMSUDBFXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(9-19-7-6-16-10-19)18-15(20)13-8-17-14-5-3-2-4-12(13)14/h2-7,10-11,13,17H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).