6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide

C20H18BrFN4O — CID 91163173

IUPAC6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H18BrFN4O/c1-10-3-5-14(22)18-17(10)13(11(2)24-18)7-8-23-20(27)19-25-15-6-4-12(21)9-16(15)26-19/h3-6,9,24H,7-8H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyYYFIOMOWSHOBSF-UHFFFAOYSA-N
MW429.29 g/mol
LogP4.54
Rot. Bonds4

About 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide

6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 91163173) has the molecular formula C20H18BrFN4O and a molecular weight of 429.29 g/mol. Its IUPAC name is 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
PubChem CID91163173
Molecular FormulaC20H18BrFN4O
Molecular Weight429.29 g/mol
Exact Mass428.06
IUPAC Name6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H18BrFN4O/c1-10-3-5-14(22)18-17(10)13(11(2)24-18)7-8-23-20(27)19-25-15-6-4-12(21)9-16(15)26-19/h3-6,9,24H,7-8H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyYYFIOMOWSHOBSF-UHFFFAOYSA-N
XLogP4.54
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-5-methylthiophene-2-carboxamide
CID 25173160
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
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
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
CID 25142295
2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide
CID 44625269
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
CID 135324563
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142027
3-[(E)-3-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid
CID 163689140
2-(3-chloro-5-fluorophenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 25125315
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide (CID 91163173) is 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is YYFIOMOWSHOBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O/c1-10-3-5-14(22)18-17(10)13(11(2)24-18)7-8-23-20(27)19-25-15-6-4-12(21)9-16(15)26-19/h3-6,9,24H,7-8H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 429.29 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 91163173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).