N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

C23H26N4O — CID 46773623

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C23H26N4O/c1-18-24-13-16-27(18)17-19-7-9-21(10-8-19)23(28)25-12-4-14-26-15-11-20-5-2-3-6-22(20)26/h2-3,5-10,13,16H,4,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyAKISGGOWIOBVDR-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.42
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 46773623) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID46773623
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C23H26N4O/c1-18-24-13-16-27(18)17-19-7-9-21(10-8-19)23(28)25-12-4-14-26-15-11-20-5-2-3-6-22(20)26/h2-3,5-10,13,16H,4,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyAKISGGOWIOBVDR-UHFFFAOYSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 43926287
4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 46772071
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43918185
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 92684505
4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100587934
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28631742
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 46773623) is N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is Cc1nccn1Cc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is AKISGGOWIOBVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-24-13-16-27(18)17-19-7-9-21(10-8-19)23(28)25-12-4-14-26-15-11-20-5-2-3-6-22(20)26/h2-3,5-10,13,16H,4,11-12,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 46773623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).