1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine

C21H26N4O — CID 131930310

IUPAC1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOCCn1ccnc1CNC(c1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N4O/c1-16-6-7-18(13-17(16)2)21(19-5-4-8-22-14-19)24-15-20-23-9-10-25(20)11-12-26-3/h4-10,13-14,21,24H,11-12,15H2,1-3H3
InChIKeyDYZAEQAMKYMRKT-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.42
Rot. Bonds8

About 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine

1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 131930310) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID131930310
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOCCn1ccnc1CNC(c1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N4O/c1-16-6-7-18(13-17(16)2)21(19-5-4-8-22-14-19)24-15-20-23-9-10-25(20)11-12-26-3/h4-10,13-14,21,24H,11-12,15H2,1-3H3
InChIKeyDYZAEQAMKYMRKT-UHFFFAOYSA-N
XLogP3.42
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
CID 94600630
1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561963
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
[(1-ethylimidazol-2-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196054
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 43408958

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine (CID 131930310) is 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine is COCCn1ccnc1CNC(c1cccnc1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is DYZAEQAMKYMRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-6-7-18(13-17(16)2)21(19-5-4-8-22-14-19)24-15-20-23-9-10-25(20)11-12-26-3/h4-10,13-14,21,24H,11-12,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 350.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 131930310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).