N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide

C24H28N4O — CID 56909102

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C24H28N4O/c1-27(18-22-25-13-14-26-22)23(29)24(16-20-10-6-7-11-21(20)17-24)28(2)15-12-19-8-4-3-5-9-19/h3-11,13-14H,12,15-18H2,1-2H3,(H,25,26)
InChIKeyIPOZPXUOBUKOSU-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.08
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide (PubChem CID 56909102) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
PubChem CID56909102
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C24H28N4O/c1-27(18-22-25-13-14-26-22)23(29)24(16-20-10-6-7-11-21(20)17-24)28(2)15-12-19-8-4-3-5-9-19/h3-11,13-14H,12,15-18H2,1-2H3,(H,25,26)
InChIKeyIPOZPXUOBUKOSU-UHFFFAOYSA-N
XLogP3.08
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 91213426
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
CID 56896500
2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide
CID 56909077
N-[2-(dimethylamino)ethyl]-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56912729
2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide
CID 26405728
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 64516909
N-(2-hydroxypropyl)-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56892980
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712447
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide (CID 56909102) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide?
The InChIKey is IPOZPXUOBUKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27(18-22-25-13-14-26-22)23(29)24(16-20-10-6-7-11-21(20)17-24)28(2)15-12-19-8-4-3-5-9-19/h3-11,13-14H,12,15-18H2,1-2H3,(H,25,26).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 56909102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).