2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol

C22H27N3O — CID 46999098

IUPAC2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol
SMILESCC(C)n1c(CN(C/C=C/c2ccccc2)CCO)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-18(2)25-21-13-7-6-12-20(21)23-22(25)17-24(15-16-26)14-8-11-19-9-4-3-5-10-19/h3-13,18,26H,14-17H2,1-2H3/b11-8+
InChIKeyFASJZFBKKNAEOH-DHZHZOJOSA-N
MW349.48 g/mol
LogP4.12
Rot. Bonds8

About 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol

2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol (PubChem CID 46999098) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol
PubChem CID46999098
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol
SMILESCC(C)n1c(CN(C/C=C/c2ccccc2)CCO)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-18(2)25-21-13-7-6-12-20(21)23-22(25)17-24(15-16-26)14-8-11-19-9-4-3-5-10-19/h3-13,18,26H,14-17H2,1-2H3/b11-8+
InChIKeyFASJZFBKKNAEOH-DHZHZOJOSA-N
XLogP4.12
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol with MolForge

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Related Compounds

3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol
CID 46988270
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 46983801
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
CID 40514905
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
(2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol
CID 51495179
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118760940

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol (CID 46999098) is 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol is CC(C)n1c(CN(C/C=C/c2ccccc2)CCO)nc2ccccc21.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is FASJZFBKKNAEOH-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18(2)25-21-13-7-6-12-20(21)23-22(25)17-24(15-16-26)14-8-11-19-9-4-3-5-10-19/h3-13,18,26H,14-17H2,1-2H3/b11-8+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol?
2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 349.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 46999098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).