1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine

C20H27N5O — CID 131951878

IUPAC1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1ccc(-n2ccnc2CNC(Cn2ccnc2)C(C)(C)C)cc1
InChIInChI=1S/C20H27N5O/c1-20(2,3)18(14-24-11-9-21-15-24)23-13-19-22-10-12-25(19)16-5-7-17(26-4)8-6-16/h5-12,15,18,23H,13-14H2,1-4H3
InChIKeyZBLMWXJEPBNJEE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.28
Rot. Bonds7

About 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine

1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine (PubChem CID 131951878) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine
PubChem CID131951878
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1ccc(-n2ccnc2CNC(Cn2ccnc2)C(C)(C)C)cc1
InChIInChI=1S/C20H27N5O/c1-20(2,3)18(14-24-11-9-21-15-24)23-13-19-22-10-12-25(19)16-5-7-17(26-4)8-6-16/h5-12,15,18,23H,13-14H2,1-4H3
InChIKeyZBLMWXJEPBNJEE-UHFFFAOYSA-N
XLogP3.28
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol
CID 74242460
1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43749571
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 92613561
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
N-[(2-bromo-4-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 115556703
N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 131895500
N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749540
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 131905635
1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106554623

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine (CID 131951878) is 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine is COc1ccc(-n2ccnc2CNC(Cn2ccnc2)C(C)(C)C)cc1.
What is the InChIKey of 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is ZBLMWXJEPBNJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-20(2,3)18(14-24-11-9-21-15-24)23-13-19-22-10-12-25(19)16-5-7-17(26-4)8-6-16/h5-12,15,18,23H,13-14H2,1-4H3.
What are the key properties of 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine?
1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 353.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 131951878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).