[1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol

C16H17N3OS — CID 167760245

IUPAC[1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol
SMILESCc1cc(C)nc(Cn2ccnc2C(O)c2cccs2)c1
InChIInChI=1S/C16H17N3OS/c1-11-8-12(2)18-13(9-11)10-19-6-5-17-16(19)15(20)14-4-3-7-21-14/h3-9,15,20H,10H2,1-2H3
InChIKeyHTCMAUNDRNISPE-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.09
Rot. Bonds4

About [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol

[1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol (PubChem CID 167760245) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol
PubChem CID167760245
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name[1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol
SMILESCc1cc(C)nc(Cn2ccnc2C(O)c2cccs2)c1
InChIInChI=1S/C16H17N3OS/c1-11-8-12(2)18-13(9-11)10-19-6-5-17-16(19)15(20)14-4-3-7-21-14/h3-9,15,20H,10H2,1-2H3
InChIKeyHTCMAUNDRNISPE-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
[2-[3-[5-(Hydroxymethyl)thiophen-2-yl]imidazo[1,5-a]pyridin-1-yl]phenyl]methanol
CID 134132602
[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080
[5-(1-Pyridin-4-ylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134149171
[4-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155538840
[4-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155554723
1-Phenyl-2-[5-pyridin-2-yl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]ethanol
CID 176556162
US11267824, Example 169
CID 149758162
US11267824, Example 124
CID 151248149
(1-Methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol
CID 46961134
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
(1-Methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol
CID 110220704

Frequently Asked Questions

What is the IUPAC name of [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol (CID 167760245) is [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol is Cc1cc(C)nc(Cn2ccnc2C(O)c2cccs2)c1.
What is the InChIKey of [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol?
The InChIKey is HTCMAUNDRNISPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-8-12(2)18-13(9-11)10-19-6-5-17-16(19)15(20)14-4-3-7-21-14/h3-9,15,20H,10H2,1-2H3.
What are the key properties of [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol?
[1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol has a molecular weight of 299.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,6-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 167760245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).