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

C14H21N3OS — CID 46954122

IUPAC1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1nccn1C)CC(C)O
InChIInChI=1S/C14H21N3OS/c1-11-4-7-19-13(11)9-17(8-12(2)18)10-14-15-5-6-16(14)3/h4-7,12,18H,8-10H2,1-3H3
InChIKeyOWRQREZSBKXBPT-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.17
Rot. Bonds6

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

1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 46954122) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID46954122
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1nccn1C)CC(C)O
InChIInChI=1S/C14H21N3OS/c1-11-4-7-19-13(11)9-17(8-12(2)18)10-14-15-5-6-16(14)3/h4-7,12,18H,8-10H2,1-3H3
InChIKeyOWRQREZSBKXBPT-UHFFFAOYSA-N
XLogP2.17
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 46954122) is 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is Cc1ccsc1CN(Cc1nccn1C)CC(C)O.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is OWRQREZSBKXBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-4-7-19-13(11)9-17(8-12(2)18)10-14-15-5-6-16(14)3/h4-7,12,18H,8-10H2,1-3H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 279.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 46954122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).