5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

C20H19N7 — CID 118159782

IUPAC5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESCc1cc2c(cc(Nc3ncc[nH]3)c3nnc(C)n32)n1Cc1ccccc1
InChIInChI=1S/C20H19N7/c1-13-10-18-17(26(13)12-15-6-4-3-5-7-15)11-16(23-20-21-8-9-22-20)19-25-24-14(2)27(18)19/h3-11H,12H2,1-2H3,(H2,21,22,23)
InChIKeyHMUHGXURPQNVEO-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.82
Rot. Bonds4

About 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (PubChem CID 118159782) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.

Molecular Properties

Compound Name5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
PubChem CID118159782
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESCc1cc2c(cc(Nc3ncc[nH]3)c3nnc(C)n32)n1Cc1ccccc1
InChIInChI=1S/C20H19N7/c1-13-10-18-17(26(13)12-15-6-4-3-5-7-15)11-16(23-20-21-8-9-22-20)19-25-24-14(2)27(18)19/h3-11H,12H2,1-2H3,(H2,21,22,23)
InChIKeyHMUHGXURPQNVEO-UHFFFAOYSA-N
XLogP3.82
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The IUPAC name of 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (CID 118159782) is 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.
What is the SMILES notation for 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The canonical SMILES for 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is Cc1cc2c(cc(Nc3ncc[nH]3)c3nnc(C)n32)n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The InChIKey is HMUHGXURPQNVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-13-10-18-17(26(13)12-15-6-4-3-5-7-15)11-16(23-20-21-8-9-22-20)19-25-24-14(2)27(18)19/h3-11H,12H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine has a molecular weight of 357.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1H-imidazol-2-yl)-4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is sourced from PubChem (CID 118159782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).