3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol

C20H27N3OS — CID 46988270

IUPAC3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol
SMILESCc1ccc(CN(CCCO)Cc2nc3ccccc3n2C(C)C)s1
InChIInChI=1S/C20H27N3OS/c1-15(2)23-19-8-5-4-7-18(19)21-20(23)14-22(11-6-12-24)13-17-10-9-16(3)25-17/h4-5,7-10,15,24H,6,11-14H2,1-3H3
InChIKeyAGXJNQHTPGZDMB-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.37
Rot. Bonds8

About 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol

3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol (PubChem CID 46988270) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol
PubChem CID46988270
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol
SMILESCc1ccc(CN(CCCO)Cc2nc3ccccc3n2C(C)C)s1
InChIInChI=1S/C20H27N3OS/c1-15(2)23-19-8-5-4-7-18(19)21-20(23)14-22(11-6-12-24)13-17-10-9-16(3)25-17/h4-5,7-10,15,24H,6,11-14H2,1-3H3
InChIKeyAGXJNQHTPGZDMB-UHFFFAOYSA-N
XLogP4.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol with MolForge

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Related Compounds

2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol
CID 46999098
(2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol
CID 51495179
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
3-[(5-methylthiophen-2-yl)methyl-[(4-pyrimidin-2-yloxyphenyl)methyl]amino]propan-1-ol
CID 46996443
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311798
2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131901796
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol (CID 46988270) is 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol is Cc1ccc(CN(CCCO)Cc2nc3ccccc3n2C(C)C)s1.
What is the InChIKey of 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol?
The InChIKey is AGXJNQHTPGZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15(2)23-19-8-5-4-7-18(19)21-20(23)14-22(11-6-12-24)13-17-10-9-16(3)25-17/h4-5,7-10,15,24H,6,11-14H2,1-3H3.
What are the key properties of 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol?
3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol has a molecular weight of 357.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 46988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).