(2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole

C23H22N2OS — CID 170174966

IUPAC(2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole
SMILESCCN1c2ccccc2N(c2cc3c(cc2OC)sc2ccccc23)[C@H]1C
InChIInChI=1S/C23H22N2OS/c1-4-24-15(2)25(19-11-7-6-10-18(19)24)20-13-17-16-9-5-8-12-22(16)27-23(17)14-21(20)26-3/h5-15H,4H2,1-3H3/t15-/m0/s1
InChIKeyLCXNRARXZVPKDR-HNNXBMFYSA-N
MW374.51 g/mol
LogP6.39
Rot. Bonds3

About (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole

(2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole (PubChem CID 170174966) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole.

Molecular Properties

Compound Name(2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole
PubChem CID170174966
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC Name(2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole
SMILESCCN1c2ccccc2N(c2cc3c(cc2OC)sc2ccccc23)[C@H]1C
InChIInChI=1S/C23H22N2OS/c1-4-24-15(2)25(19-11-7-6-10-18(19)24)20-13-17-16-9-5-8-12-22(16)27-23(17)14-21(20)26-3/h5-15H,4H2,1-3H3/t15-/m0/s1
InChIKeyLCXNRARXZVPKDR-HNNXBMFYSA-N
XLogP6.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole?
The IUPAC name of (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole (CID 170174966) is (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole.
What is the SMILES notation for (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole?
The canonical SMILES for (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole is CCN1c2ccccc2N(c2cc3c(cc2OC)sc2ccccc23)[C@H]1C.
What is the InChIKey of (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole?
The InChIKey is LCXNRARXZVPKDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-4-24-15(2)25(19-11-7-6-10-18(19)24)20-13-17-16-9-5-8-12-22(16)27-23(17)14-21(20)26-3/h5-15H,4H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole?
(2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole has a molecular weight of 374.51 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole is sourced from PubChem (CID 170174966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).