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

C21H20N4O2 — CID 20954620

IUPAC1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C21H20N4O2/c26-20(23-11-10-17-13-22-14-24-17)19-12-16-8-4-5-9-18(16)25(19)21(27)15-6-2-1-3-7-15/h1-9,13-14,19H,10-12H2,(H,22,24)(H,23,26)
InChIKeyOKHRSGBAJSFYJI-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.34
Rot. Bonds5

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

1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 20954620) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide
PubChem CID20954620
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C21H20N4O2/c26-20(23-11-10-17-13-22-14-24-17)19-12-16-8-4-5-9-18(16)25(19)21(27)15-6-2-1-3-7-15/h1-9,13-14,19H,10-12H2,(H,22,24)(H,23,26)
InChIKeyOKHRSGBAJSFYJI-UHFFFAOYSA-N
XLogP2.34
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
CID 20954717
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77061490
N-[2-(1H-imidazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 23378535
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77091092
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74249393
1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate
CID 175180665
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710265

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide (CID 20954620) is 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide is O=C(NCCc1cnc[nH]1)C1Cc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is OKHRSGBAJSFYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(23-11-10-17-13-22-14-24-17)19-12-16-8-4-5-9-18(16)25(19)21(27)15-6-2-1-3-7-15/h1-9,13-14,19H,10-12H2,(H,22,24)(H,23,26).
What are the key properties of 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).