(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide

C21H24N4O3S — CID 51587529

IUPAC(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
SMILESCc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C21H24N4O3S/c1-14(13-24-15(2)22-18-6-4-5-7-20(18)24)21(26)23-17-8-9-19-16(12-17)10-11-25(19)29(3,27)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyYUUGFOSNNWRBGN-CQSZACIVSA-N
MW412.52 g/mol
LogP2.94
Rot. Bonds5

About (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide

(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide (PubChem CID 51587529) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
PubChem CID51587529
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
SMILESCc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C21H24N4O3S/c1-14(13-24-15(2)22-18-6-4-5-7-20(18)24)21(26)23-17-8-9-19-16(12-17)10-11-25(19)29(3,27)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyYUUGFOSNNWRBGN-CQSZACIVSA-N
XLogP2.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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endo-N-((S)-3-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide
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N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4239327
N-[(1S)-1-(3-fluorophenyl)-3-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,1-dioxothiane-4-carboxamide
CID 52940677
N-[(1S)-3-[(1R,5S)-3-(2-ethylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-fluorophenyl)propyl]-1,1-dioxothiane-4-carboxamide
CID 52944265
N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide
CID 749157
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide
CID 718241
N-(1-benzylbenzimidazol-2-yl)propanamide
CID 867488
2-methyl-N-{2-[1-(2-phenylethyl)-1H-benzimidazol-2-yl]ethyl}propanamide
CID 955335
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 1085014
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CID 3160767

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide?
The IUPAC name of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide (CID 51587529) is (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide?
The canonical SMILES for (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide is Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide?
The InChIKey is YUUGFOSNNWRBGN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14(13-24-15(2)22-18-6-4-5-7-20(18)24)21(26)23-17-8-9-19-16(12-17)10-11-25(19)29(3,27)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide?
(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide has a molecular weight of 412.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide is sourced from PubChem (CID 51587529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).