N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline

C15H21N3O2 — CID 59728179

IUPACN-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline
SMILESCOc1cc(OC)cc(N(Cc2cnc[nH]2)C(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-11(2)18(9-12-8-16-10-17-12)13-5-14(19-3)7-15(6-13)20-4/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyCOXKPZXRGVKVTC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.84
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline

N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline (PubChem CID 59728179) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline
PubChem CID59728179
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline
SMILESCOc1cc(OC)cc(N(Cc2cnc[nH]2)C(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-11(2)18(9-12-8-16-10-17-12)13-5-14(19-3)7-15(6-13)20-4/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyCOXKPZXRGVKVTC-UHFFFAOYSA-N
XLogP2.84
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline
CID 59728067
4-bromo-3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24948466
5-fluoro-N-(1H-imidazol-5-ylmethyl)-4-(2-iodoiodanuidylethyl)-2-methoxy-N-propan-2-ylaniline
CID 163463130
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 59728197
5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
3,5-dimethoxy-N-methyl-N-propan-2-ylaniline
CID 129265137
ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline
CID 178123160
N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-methylaniline
CID 59728042
N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57292763
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 103695300
N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide
CID 81258965

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline (CID 59728179) is N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline is COc1cc(OC)cc(N(Cc2cnc[nH]2)C(C)C)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline?
The InChIKey is COXKPZXRGVKVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)18(9-12-8-16-10-17-12)13-5-14(19-3)7-15(6-13)20-4/h5-8,10-11H,9H2,1-4H3,(H,16,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline has a molecular weight of 275.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline is sourced from PubChem (CID 59728179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).