N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

C23H25N3 — CID 3689961

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
SMILESCN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ncc[nH]1
InChIInChI=1S/C23H25N3/c1-26(17-23-24-14-15-25-23)16-6-11-22-20-9-4-2-7-18(20)12-13-19-8-3-5-10-21(19)22/h2-5,7-11,14-15H,6,12-13,16-17H2,1H3,(H,24,25)
InChIKeyFJWLXEHVUMZSLD-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.46
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine (PubChem CID 3689961) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
PubChem CID3689961
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
SMILESCN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ncc[nH]1
InChIInChI=1S/C23H25N3/c1-26(17-23-24-14-15-25-23)16-6-11-22-20-9-4-2-7-18(20)12-13-19-8-3-5-10-21(19)22/h2-5,7-11,14-15H,6,12-13,16-17H2,1H3,(H,24,25)
InChIKeyFJWLXEHVUMZSLD-UHFFFAOYSA-N
XLogP4.46
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine (CID 3689961) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine is CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The InChIKey is FJWLXEHVUMZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-26(17-23-24-14-15-25-23)16-6-11-22-20-9-4-2-7-18(20)12-13-19-8-3-5-10-21(19)22/h2-5,7-11,14-15H,6,12-13,16-17H2,1H3,(H,24,25).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine is sourced from PubChem (CID 3689961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).