N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine

C21H26N4O — CID 46994572

IUPACN-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(-n2ccnc2CN(Cc2ccccn2)CC(C)C)cc1
InChIInChI=1S/C21H26N4O/c1-17(2)14-24(15-18-6-4-5-11-22-18)16-21-23-12-13-25(21)19-7-9-20(26-3)10-8-19/h4-13,17H,14-16H2,1-3H3
InChIKeyCKLMLFMWTVPYPP-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.93
Rot. Bonds8

About N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine

N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46994572) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46994572
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(-n2ccnc2CN(Cc2ccccn2)CC(C)C)cc1
InChIInChI=1S/C21H26N4O/c1-17(2)14-24(15-18-6-4-5-11-22-18)16-21-23-12-13-25(21)19-7-9-20(26-3)10-8-19/h4-13,17H,14-16H2,1-3H3
InChIKeyCKLMLFMWTVPYPP-UHFFFAOYSA-N
XLogP3.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46998669
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
N,N-dimethyl-N'-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961962
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine
CID 74239795
1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106554623
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
1-(4-methoxyphenyl)-N-methyl-6-oxo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91954977
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 46982647
2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 59699017
CID 172687865
CID 172687865
4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
CID 122394146

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46994572) is N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine is COc1ccc(-n2ccnc2CN(Cc2ccccn2)CC(C)C)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is CKLMLFMWTVPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-17(2)14-24(15-18-6-4-5-11-22-18)16-21-23-12-13-25(21)19-7-9-20(26-3)10-8-19/h4-13,17H,14-16H2,1-3H3.
What are the key properties of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine?
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 350.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46994572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).