N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine

C21H24N4O — CID 56792885

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccc(-n3ccnc3)cc2)CC2CCCO2)c1
InChIInChI=1S/C21H24N4O/c1-3-19(13-22-9-1)15-24(16-21-4-2-12-26-21)14-18-5-7-20(8-6-18)25-11-10-23-17-25/h1,3,5-11,13,17,21H,2,4,12,14-16H2
InChIKeyHIINBSFWAWTXQS-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.45
Rot. Bonds7

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine

N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 56792885) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID56792885
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccc(-n3ccnc3)cc2)CC2CCCO2)c1
InChIInChI=1S/C21H24N4O/c1-3-19(13-22-9-1)15-24(16-21-4-2-12-26-21)14-18-5-7-20(8-6-18)25-11-10-23-17-25/h1,3,5-11,13,17,21H,2,4,12,14-16H2
InChIKeyHIINBSFWAWTXQS-UHFFFAOYSA-N
XLogP3.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine (CID 56792885) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CN(Cc2ccc(-n3ccnc3)cc2)CC2CCCO2)c1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is HIINBSFWAWTXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-19(13-22-9-1)15-24(16-21-4-2-12-26-21)14-18-5-7-20(8-6-18)25-11-10-23-17-25/h1,3,5-11,13,17,21H,2,4,12,14-16H2.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 348.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 56792885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).