(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

C21H26N4O — CID 95046645

IUPAC(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCOc1ccc(-n2ccnc2CN(C)[C@H](C)Cc2cc(C)ccn2)cc1
InChIInChI=1S/C21H26N4O/c1-16-9-10-22-18(13-16)14-17(2)24(3)15-21-23-11-12-25(21)19-5-7-20(26-4)8-6-19/h5-13,17H,14-15H2,1-4H3/t17-/m1/s1
InChIKeyVCZYWWUPCJMBAO-QGZVFWFLSA-N
MW350.47 g/mol
LogP3.65
Rot. Bonds7

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

(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (PubChem CID 95046645) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
PubChem CID95046645
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCOc1ccc(-n2ccnc2CN(C)[C@H](C)Cc2cc(C)ccn2)cc1
InChIInChI=1S/C21H26N4O/c1-16-9-10-22-18(13-16)14-17(2)24(3)15-21-23-11-12-25(21)19-5-7-20(26-4)8-6-19/h5-13,17H,14-15H2,1-4H3/t17-/m1/s1
InChIKeyVCZYWWUPCJMBAO-QGZVFWFLSA-N
XLogP3.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine with MolForge

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Related Compounds

(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46994572
(2R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 99943544
(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 124758227
2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine
CID 120840373
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine
CID 74239795
(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124754653
N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46997844
(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine
CID 99795716
(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124749899
CID 172687865
CID 172687865

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (CID 95046645) is (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is COc1ccc(-n2ccnc2CN(C)[C@H](C)Cc2cc(C)ccn2)cc1.
What is the InChIKey of (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is VCZYWWUPCJMBAO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-9-10-22-18(13-16)14-17(2)24(3)15-21-23-11-12-25(21)19-5-7-20(26-4)8-6-19/h5-13,17H,14-15H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 350.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 95046645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).