N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide

C15H17N3O — CID 77091092

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCc2ccccc21
InChIInChI=1S/C15H17N3O/c19-15(17-8-7-12-9-16-10-18-12)14-6-5-11-3-1-2-4-13(11)14/h1-4,9-10,14H,5-8H2,(H,16,18)(H,17,19)
InChIKeyFJQCSZOUINBKQE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 77091092) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID77091092
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCc2ccccc21
InChIInChI=1S/C15H17N3O/c19-15(17-8-7-12-9-16-10-18-12)14-6-5-11-3-1-2-4-13(11)14/h1-4,9-10,14H,5-8H2,(H,16,18)(H,17,19)
InChIKeyFJQCSZOUINBKQE-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77061490
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
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4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954620
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 80573485
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97119524
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665371
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74249393

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 77091092) is N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide is O=C(NCCc1cnc[nH]1)C1CCc2ccccc21.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is FJQCSZOUINBKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(17-8-7-12-9-16-10-18-12)14-6-5-11-3-1-2-4-13(11)14/h1-4,9-10,14H,5-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 77091092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).