N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C24H21FN4O3S — CID 42962154

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C24H21FN4O3S/c1-14-11-17-12-16(5-10-22(17)29(14)33(2,31)32)24(30)26-19-8-9-20-21(13-19)28-23(27-20)15-3-6-18(25)7-4-15/h3-10,12-14H,11H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyUHKDUAAZGZSNLM-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.33
Rot. Bonds4

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 42962154) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID42962154
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C24H21FN4O3S/c1-14-11-17-12-16(5-10-22(17)29(14)33(2,31)32)24(30)26-19-8-9-20-21(13-19)28-23(27-20)15-3-6-18(25)7-4-15/h3-10,12-14H,11H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyUHKDUAAZGZSNLM-UHFFFAOYSA-N
XLogP4.33
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 78808548
N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27649592
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
N-[4-(difluoromethoxy)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46612241
N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 42962154) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is UHKDUAAZGZSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-14-11-17-12-16(5-10-22(17)29(14)33(2,31)32)24(30)26-19-8-9-20-21(13-19)28-23(27-20)15-3-6-18(25)7-4-15/h3-10,12-14H,11H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 42962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).