N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline

C13H19N3 — CID 134137108

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline
SMILESCCCc1ccccc1NCC1=NCCN1
InChIInChI=1S/C13H19N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,14,15)
InChIKeyDHKRDPVIPVAAGO-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.05
Rot. Bonds5

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline (PubChem CID 134137108) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline
PubChem CID134137108
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline
SMILESCCCc1ccccc1NCC1=NCCN1
InChIInChI=1S/C13H19N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,14,15)
InChIKeyDHKRDPVIPVAAGO-UHFFFAOYSA-N
XLogP2.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline (CID 134137108) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline is CCCc1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline?
The InChIKey is DHKRDPVIPVAAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline has a molecular weight of 217.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylaniline is sourced from PubChem (CID 134137108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).