2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

C20H19N3O — CID 43926287

IUPAC2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
SMILESCc1nccn1Cc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O/c1-15-21-11-13-22(15)14-16-6-8-18(9-7-16)20(24)23-12-10-17-4-2-3-5-19(17)23/h2-9,11,13H,10,12,14H2,1H3
InChIKeyNJDYKNWWWYPIHB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.44
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 43926287) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
PubChem CID43926287
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
SMILESCc1nccn1Cc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O/c1-15-21-11-13-22(15)14-16-6-8-18(9-7-16)20(24)23-12-10-17-4-2-3-5-19(17)23/h2-9,11,13H,10,12,14H2,1H3
InChIKeyNJDYKNWWWYPIHB-UHFFFAOYSA-N
XLogP3.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46773623
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 43920542
N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43918185
1-[(4-chlorophenyl)methyl]-5-(2,3-dihydroindole-1-carbonyl)pyridin-2-one
CID 26843891
2,3-dihydroindol-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone
CID 38106390
4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920038
[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 15053682
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46774905
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
1-benzyl-2-methylimidazole
CID 158634472
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 38107052
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (CID 43926287) is 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is Cc1nccn1Cc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?
The InChIKey is NJDYKNWWWYPIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-21-11-13-22(15)14-16-6-8-18(9-7-16)20(24)23-12-10-17-4-2-3-5-19(17)23/h2-9,11,13H,10,12,14H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?
2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 317.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 43926287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).