N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine

C15H19N3O — CID 43220337

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESc1cn(-c2ccc(CNCC3CCCO3)cc2)cn1
InChIInChI=1S/C15H19N3O/c1-2-15(19-9-1)11-17-10-13-3-5-14(6-4-13)18-8-7-16-12-18/h3-8,12,15,17H,1-2,9-11H2
InChIKeyVZFBQEIYAPSEAI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds5

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 43220337) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID43220337
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESc1cn(-c2ccc(CNCC3CCCO3)cc2)cn1
InChIInChI=1S/C15H19N3O/c1-2-15(19-9-1)11-17-10-13-3-5-14(6-4-13)18-8-7-16-12-18/h3-8,12,15,17H,1-2,9-11H2
InChIKeyVZFBQEIYAPSEAI-UHFFFAOYSA-N
XLogP2.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
1-(1,1-dioxothiolan-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]methanamine
CID 60733553
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 18231112
1-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 29227247
N-[(4-imidazol-1-ylphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 95630548

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 43220337) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine is c1cn(-c2ccc(CNCC3CCCO3)cc2)cn1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is VZFBQEIYAPSEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-15(19-9-1)11-17-10-13-3-5-14(6-4-13)18-8-7-16-12-18/h3-8,12,15,17H,1-2,9-11H2.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43220337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).