(2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol

C20H27N3OS — CID 51495179

About (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol

(2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol (PubChem CID 51495179) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol
• PubChem CID: 51495179
• Molecular Formula: C20H27N3OS
• Molecular Weight: 357.52 g/mol
• Exact Mass: 357.19
• IUPAC Name: (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol
• SMILES: Cc1ccsc1CN(Cc1nc2ccccc2n1C(C)C)C[C@@H](C)O
• InChI: InChI=1S/C20H27N3OS/c1-14(2)23-18-8-6-5-7-17(18)21-20(23)13-22(11-16(4)24)12-19-15(3)9-10-25-19/h5-10,14,16,24H,11-13H2,1-4H3/t16-/m1/s1
• InChIKey: OUYPQYYFRWUURB-MRXNPFEDSA-N
• XLogP: 4.37
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.52
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol?

The IUPAC name of (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol (CID 51495179) is (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol.

What is the SMILES notation for (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol?

The canonical SMILES for (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol is Cc1ccsc1CN(Cc1nc2ccccc2n1C(C)C)C[C@@H](C)O.

What is the InChIKey of (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol?

The InChIKey is OUYPQYYFRWUURB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-14(2)23-18-8-6-5-7-17(18)21-20(23)13-22(11-16(4)24)12-19-15(3)9-10-25-19/h5-10,14,16,24H,11-13H2,1-4H3/t16-/m1/s1.

What are the key properties of (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol?

(2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol has a molecular weight of 357.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 51495179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).