(7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine

C19H24ClN3 — CID 110216289

IUPAC(7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine
SMILESCn1cncc1CN[C@H]1C2CCCCC2[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3/c1-23-12-21-10-15(23)11-22-19-17-5-3-2-4-16(17)18(19)13-6-8-14(20)9-7-13/h6-10,12,16-19,22H,2-5,11H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKeyCDJGIYHFOCMFSK-BTRQGYIVSA-N
MW329.88 g/mol
LogP4.14
Rot. Bonds4

About (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine

(7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine (PubChem CID 110216289) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name(7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine
PubChem CID110216289
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name(7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine
SMILESCn1cncc1CN[C@H]1C2CCCCC2[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3/c1-23-12-21-10-15(23)11-22-19-17-5-3-2-4-16(17)18(19)13-6-8-14(20)9-7-13/h6-10,12,16-19,22H,2-5,11H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKeyCDJGIYHFOCMFSK-BTRQGYIVSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine?
The IUPAC name of (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine (CID 110216289) is (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine?
The canonical SMILES for (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine is Cn1cncc1CN[C@H]1C2CCCCC2[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine?
The InChIKey is CDJGIYHFOCMFSK-BTRQGYIVSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-23-12-21-10-15(23)11-22-19-17-5-3-2-4-16(17)18(19)13-6-8-14(20)9-7-13/h6-10,12,16-19,22H,2-5,11H2,1H3/t16?,17?,18-,19-/m0/s1.
What are the key properties of (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine?
(7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine has a molecular weight of 329.88 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 110216289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).