[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C14H16ClN3O — CID 114716207

IUPAC[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1-c1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C14H16ClN3O/c15-11-1-3-12(4-2-11)18-9-17-7-13(18)14(16)10-5-6-19-8-10/h1-4,7,9-10,14H,5-6,8,16H2
InChIKeyJWOWNRXDIHAZJQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.56
Rot. Bonds3

About [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114716207) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114716207
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1-c1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C14H16ClN3O/c15-11-1-3-12(4-2-11)18-9-17-7-13(18)14(16)10-5-6-19-8-10/h1-4,7,9-10,14H,5-6,8,16H2
InChIKeyJWOWNRXDIHAZJQ-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720771
[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717621
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716228
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 107649077
oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
CID 114720059
(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 114722429
[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717791
[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720958
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-4-methylbenzonitrile
CID 114719865

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114716207) is [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is NC(c1cncn1-c1ccc(Cl)cc1)C1CCOC1.
What is the InChIKey of [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is JWOWNRXDIHAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-1-3-12(4-2-11)18-9-17-7-13(18)14(16)10-5-6-19-8-10/h1-4,7,9-10,14H,5-6,8,16H2.
What are the key properties of [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 277.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114716207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).