2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole

C19H18N4O2S — CID 76968095

IUPAC2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole
SMILESCOc1ccnc(C[S@@](=O)c2nc3ccc(-n4cccc4)cc3[nH]2)c1C
InChIInChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)/t26-/m1/s1
InChIKeyHRRXCXABAPSOCP-AREMUKBSSA-N
MW366.45 g/mol
LogP3.37
Rot. Bonds5

About 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole

2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole (PubChem CID 76968095) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole
PubChem CID76968095
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole
SMILESCOc1ccnc(C[S@@](=O)c2nc3ccc(-n4cccc4)cc3[nH]2)c1C
InChIInChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)/t26-/m1/s1
InChIKeyHRRXCXABAPSOCP-AREMUKBSSA-N
XLogP3.37
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-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 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole?
The IUPAC name of 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole (CID 76968095) is 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole?
The canonical SMILES for 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole is COc1ccnc(C[S@@](=O)c2nc3ccc(-n4cccc4)cc3[nH]2)c1C.
What is the InChIKey of 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole?
The InChIKey is HRRXCXABAPSOCP-AREMUKBSSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)/t26-/m1/s1.
What are the key properties of 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole?
2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole has a molecular weight of 366.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole is sourced from PubChem (CID 76968095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).