N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine

C16H22ClN3O — CID 62223776

IUPACN-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Cl)cc1Cn1ccnc1CNC(C)(C)C
InChIInChI=1S/C16H22ClN3O/c1-16(2,3)19-10-15-18-7-8-20(15)11-12-9-13(17)5-6-14(12)21-4/h5-9,19H,10-11H2,1-4H3
InChIKeyCSIQDELORNRAEZ-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.48
Rot. Bonds5

About N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62223776) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62223776
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Cl)cc1Cn1ccnc1CNC(C)(C)C
InChIInChI=1S/C16H22ClN3O/c1-16(2,3)19-10-15-18-7-8-20(15)11-12-9-13(17)5-6-14(12)21-4/h5-9,19H,10-11H2,1-4H3
InChIKeyCSIQDELORNRAEZ-UHFFFAOYSA-N
XLogP3.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508
N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221302
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114930890
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402723
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62223776) is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is COc1ccc(Cl)cc1Cn1ccnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CSIQDELORNRAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-16(2,3)19-10-15-18-7-8-20(15)11-12-9-13(17)5-6-14(12)21-4/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.83 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62223776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).