[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H18ClN3O — CID 114717621

IUPAC[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(Cl)ccc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H18ClN3O/c1-10-6-12(16)2-3-13(10)19-9-18-7-14(19)15(17)11-4-5-20-8-11/h2-3,6-7,9,11,15H,4-5,8,17H2,1H3
InChIKeyTZYMEFJRKKQZEI-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.87
Rot. Bonds3

About [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114717621) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114717621
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(Cl)ccc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H18ClN3O/c1-10-6-12(16)2-3-13(10)19-9-18-7-14(19)15(17)11-4-5-20-8-11/h2-3,6-7,9,11,15H,4-5,8,17H2,1H3
InChIKeyTZYMEFJRKKQZEI-UHFFFAOYSA-N
XLogP2.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66117636
4-chloro-N-[(3-ethylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119050
4-chloro-N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66131470
4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66134361
[3-(2,5-Difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103587990
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propylimidazol-2-amine
CID 106557196
1-[4-chloro-2-(trifluoromethyl)phenyl]-N-ethyl-4-methylimidazol-2-amine
CID 106557197
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106557198
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106557201
1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106557212
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106570216
1-[(3-chloro-4-fluorophenyl)methyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106570234

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114717621) is [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is Cc1cc(Cl)ccc1-n1cncc1C(N)C1CCOC1.
What is the InChIKey of [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is TZYMEFJRKKQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-6-12(16)2-3-13(10)19-9-18-7-14(19)15(17)11-4-5-20-8-11/h2-3,6-7,9,11,15H,4-5,8,17H2,1H3.
What are the key properties of [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 291.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114717621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).