2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde

C22H24N4O2 — CID 142244358

IUPAC2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde
SMILESC=O.CCc1cnc(C2Cc3ccccc3N2C(=O)Nc2ccccc2C)[nH]1
InChIInChI=1S/C21H22N4O.CH2O/c1-3-16-13-22-20(23-16)19-12-15-9-5-7-11-18(15)25(19)21(26)24-17-10-6-4-8-14(17)2;1-2/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,26);1H2
InChIKeyGKMHPCCKDCAZJP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.43
Rot. Bonds3

About 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde

2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde (PubChem CID 142244358) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde.

Molecular Properties

Compound Name2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde
PubChem CID142244358
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde
SMILESC=O.CCc1cnc(C2Cc3ccccc3N2C(=O)Nc2ccccc2C)[nH]1
InChIInChI=1S/C21H22N4O.CH2O/c1-3-16-13-22-20(23-16)19-12-15-9-5-7-11-18(15)25(19)21(26)24-17-10-6-4-8-14(17)2;1-2/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,26);1H2
InChIKeyGKMHPCCKDCAZJP-UHFFFAOYSA-N
XLogP4.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine
CID 58720157
tert-butyl N-[(2S)-1-oxo-1-[(2S)-2-(5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate
CID 10982532
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
1-[5-fluoro-2-(5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone
CID 58768600
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
[2-(2-ethylanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109267409
3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide
CID 95067862
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
CID 58720172
(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 40519696

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde?
The IUPAC name of 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde (CID 142244358) is 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde.
What is the SMILES notation for 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde?
The canonical SMILES for 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde is C=O.CCc1cnc(C2Cc3ccccc3N2C(=O)Nc2ccccc2C)[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde?
The InChIKey is GKMHPCCKDCAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.CH2O/c1-3-16-13-22-20(23-16)19-12-15-9-5-7-11-18(15)25(19)21(26)24-17-10-6-4-8-14(17)2;1-2/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,26);1H2.
What are the key properties of 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde?
2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde has a molecular weight of 376.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-imidazol-2-yl)-N-(2-methylphenyl)-2,3-dihydroindole-1-carboxamide;formaldehyde is sourced from PubChem (CID 142244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).