N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide

C16H19N3O — CID 17395173

IUPACN-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19N3O/c20-16(18-7-2-9-19-10-8-17-12-19)15-6-5-13-3-1-4-14(13)11-15/h5-6,8,10-12H,1-4,7,9H2,(H,18,20)
InChIKeyIUCRDUQQRQJBGZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.19
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 17395173) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID17395173
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19N3O/c20-16(18-7-2-9-19-10-8-17-12-19)15-6-5-13-3-1-4-14(13)11-15/h5-6,8,10-12H,1-4,7,9H2,(H,18,20)
InChIKeyIUCRDUQQRQJBGZ-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797974
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 17065336
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 17395173) is N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCCCn1ccnc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is IUCRDUQQRQJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-7-2-9-19-10-8-17-12-19)15-6-5-13-3-1-4-14(13)11-15/h5-6,8,10-12H,1-4,7,9H2,(H,18,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 269.35 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-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 17395173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).