N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide

C22H21FN4O — CID 25142295

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1ccccc1-n1ccnc1
InChIInChI=1S/C22H21FN4O/c1-14-7-8-18(23)21-20(14)16(15(2)26-21)9-10-25-22(28)17-5-3-4-6-19(17)27-12-11-24-13-27/h3-8,11-13,26H,9-10H2,1-2H3,(H,25,28)
InChIKeyIYNNHNGRRUVPEQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide (PubChem CID 25142295) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
PubChem CID25142295
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1ccccc1-n1ccnc1
InChIInChI=1S/C22H21FN4O/c1-14-7-8-18(23)21-20(14)16(15(2)26-21)9-10-25-22(28)17-5-3-4-6-19(17)27-12-11-24-13-27/h3-8,11-13,26H,9-10H2,1-2H3,(H,25,28)
InChIKeyIYNNHNGRRUVPEQ-UHFFFAOYSA-N
XLogP4.08
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 25173160
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142027
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 91163173
6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 90723341
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide
CID 89217536
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111566196
1-(2-imidazol-1-ylphenyl)propan-1-one
CID 18474619
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide
CID 91159836
6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
CID 44625343
(E)-3-(4-aminophenyl)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
CID 89218836

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide (CID 25142295) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1ccccc1-n1ccnc1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide?
The InChIKey is IYNNHNGRRUVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14-7-8-18(23)21-20(14)16(15(2)26-21)9-10-25-22(28)17-5-3-4-6-19(17)27-12-11-24-13-27/h3-8,11-13,26H,9-10H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide has a molecular weight of 376.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide is sourced from PubChem (CID 25142295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).