(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C18H18N4O3S — CID 27649592

IUPAC(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H18N4O3S/c1-11-9-13-10-12(7-8-16(13)22(11)26(2,24)25)17(23)21-18-19-14-5-3-4-6-15(14)20-18/h3-8,10-11H,9H2,1-2H3,(H2,19,20,21,23)/t11-/m1/s1
InChIKeyMXWGAAJGOFXKGD-LLVKDONJSA-N
MW370.43 g/mol
LogP2.53
Rot. Bonds3

About (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 27649592) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID27649592
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H18N4O3S/c1-11-9-13-10-12(7-8-16(13)22(11)26(2,24)25)17(23)21-18-19-14-5-3-4-6-15(14)20-18/h3-8,10-11H,9H2,1-2H3,(H2,19,20,21,23)/t11-/m1/s1
InChIKeyMXWGAAJGOFXKGD-LLVKDONJSA-N
XLogP2.53
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 27649592) is (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is C[C@@H]1Cc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is MXWGAAJGOFXKGD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-9-13-10-12(7-8-16(13)22(11)26(2,24)25)17(23)21-18-19-14-5-3-4-6-15(14)20-18/h3-8,10-11H,9H2,1-2H3,(H2,19,20,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 27649592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).