N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide

C21H20N4O — CID 54006478

IUPACN-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H20N4O/c1-25-12-11-22-20(25)18(13-15-7-3-2-4-8-15)24-21(26)19-14-16-9-5-6-10-17(16)23-19/h2-12,14,18,23H,13H2,1H3,(H,24,26)
InChIKeyKPFQBBOLXQXFJG-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.62
Rot. Bonds5

About N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide

N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 54006478) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide
PubChem CID54006478
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H20N4O/c1-25-12-11-22-20(25)18(13-15-7-3-2-4-8-15)24-21(26)19-14-16-9-5-6-10-17(16)23-19/h2-12,14,18,23H,13H2,1H3,(H,24,26)
InChIKeyKPFQBBOLXQXFJG-UHFFFAOYSA-N
XLogP3.62
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 46513330
N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
CID 110474026
N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide
CID 54191036
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
3-(1-methylimidazol-2-yl)-4-phenylbutanoic acid
CID 82385749
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 44592009
methyl (2R)-2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoate
CID 87055155
N-[(2S)-1-[[(3S)-5-methylsulfinylpent-1-yn-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 171534305
N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide
CID 47789031
1-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-3-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 138049729
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide (CID 54006478) is N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide is Cn1ccnc1C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is KPFQBBOLXQXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25-12-11-22-20(25)18(13-15-7-3-2-4-8-15)24-21(26)19-14-16-9-5-6-10-17(16)23-19/h2-12,14,18,23H,13H2,1H3,(H,24,26).
What are the key properties of N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide?
N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 54006478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).