5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C19H15ClN6 — CID 136963109

IUPAC5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1nnc2ccc3c(cc(-c4cnc[nH]4)n3Cc3cccc(Cl)c3)n12
InChIInChI=1S/C19H15ClN6/c1-12-23-24-19-6-5-16-18(26(12)19)8-17(15-9-21-11-22-15)25(16)10-13-3-2-4-14(20)7-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyCAOFFYXVDJRZEG-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.08
Rot. Bonds3

About 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 136963109) has the molecular formula C19H15ClN6 and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID136963109
Molecular FormulaC19H15ClN6
Molecular Weight362.82 g/mol
Exact Mass362.10
IUPAC Name5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1nnc2ccc3c(cc(-c4cnc[nH]4)n3Cc3cccc(Cl)c3)n12
InChIInChI=1S/C19H15ClN6/c1-12-23-24-19-6-5-16-18(26(12)19)8-17(15-9-21-11-22-15)25(16)10-13-3-2-4-14(20)7-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyCAOFFYXVDJRZEG-UHFFFAOYSA-N
XLogP4.08
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene 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 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 136963109) is 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is Cc1nnc2ccc3c(cc(-c4cnc[nH]4)n3Cc3cccc(Cl)c3)n12.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is CAOFFYXVDJRZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6/c1-12-23-24-19-6-5-16-18(26(12)19)8-17(15-9-21-11-22-15)25(16)10-13-3-2-4-14(20)7-13/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 362.82 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 136963109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).