N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide

C24H26N4O — CID 46957121

IUPACN-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
SMILESCCn1cc(CC(C)NC(=O)c2ccccc2Cn2ccnc2)c2ccccc21
InChIInChI=1S/C24H26N4O/c1-3-28-16-20(21-9-6-7-11-23(21)28)14-18(2)26-24(29)22-10-5-4-8-19(22)15-27-13-12-25-17-27/h4-13,16-18H,3,14-15H2,1-2H3,(H,26,29)
InChIKeyNDTOXOILYCKLEQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.27
Rot. Bonds7

About N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide

N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide (PubChem CID 46957121) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
PubChem CID46957121
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
SMILESCCn1cc(CC(C)NC(=O)c2ccccc2Cn2ccnc2)c2ccccc21
InChIInChI=1S/C24H26N4O/c1-3-28-16-20(21-9-6-7-11-23(21)28)14-18(2)26-24(29)22-10-5-4-8-19(22)15-27-13-12-25-17-27/h4-13,16-18H,3,14-15H2,1-2H3,(H,26,29)
InChIKeyNDTOXOILYCKLEQ-UHFFFAOYSA-N
XLogP4.27
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
CID 51591760
methyl 3-[2-(imidazol-1-ylmethyl)phenyl]-2-methyl-3-oxopropanoate
CID 134280288
1-benzyl-3-(imidazol-1-ylmethyl)indole
CID 10062599
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
2-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzonitrile
CID 23456707
N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
CID 2717035
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
CID 56744427
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 46963941

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide (CID 46957121) is N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide is CCn1cc(CC(C)NC(=O)c2ccccc2Cn2ccnc2)c2ccccc21.
What is the InChIKey of N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
The InChIKey is NDTOXOILYCKLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-28-16-20(21-9-6-7-11-23(21)28)14-18(2)26-24(29)22-10-5-4-8-19(22)15-27-13-12-25-17-27/h4-13,16-18H,3,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46957121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).