N-(1H-imidazol-5-ylmethyl)-4-pentylaniline

C15H21N3 — CID 55109450

IUPACN-(1H-imidazol-5-ylmethyl)-4-pentylaniline
SMILESCCCCCc1ccc(NCc2cnc[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-2-3-4-5-13-6-8-14(9-7-13)17-11-15-10-16-12-18-15/h6-10,12,17H,2-5,11H2,1H3,(H,16,18)
InChIKeyKPUDJWDULADLAG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.75
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-4-pentylaniline

N-(1H-imidazol-5-ylmethyl)-4-pentylaniline (PubChem CID 55109450) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-4-pentylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-4-pentylaniline
PubChem CID55109450
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(1H-imidazol-5-ylmethyl)-4-pentylaniline
SMILESCCCCCc1ccc(NCc2cnc[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-2-3-4-5-13-6-8-14(9-7-13)17-11-15-10-16-12-18-15/h6-10,12,17H,2-5,11H2,1H3,(H,16,18)
InChIKeyKPUDJWDULADLAG-UHFFFAOYSA-N
XLogP3.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186
4-ethoxy-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761547
5-hexyl-1H-imidazole
CID 14225142
4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
CID 21193542
N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761582
N-(4-octylphenyl)-1H-imidazole-5-carboxamide
CID 177471524
N-ethyl-4-nonylaniline
CID 154108619
methyl N-[4-(1H-imidazol-5-ylmethylamino)phenyl]carbamate
CID 62763549
2-[4-(1H-imidazol-5-ylmethylamino)phenyl]-2-methylpropanenitrile
CID 62763178
3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol
CID 113369521
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-pentylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-pentylaniline (CID 55109450) is N-(1H-imidazol-5-ylmethyl)-4-pentylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-4-pentylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-4-pentylaniline is CCCCCc1ccc(NCc2cnc[nH]2)cc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-4-pentylaniline?
The InChIKey is KPUDJWDULADLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-4-5-13-6-8-14(9-7-13)17-11-15-10-16-12-18-15/h6-10,12,17H,2-5,11H2,1H3,(H,16,18).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-4-pentylaniline?
N-(1H-imidazol-5-ylmethyl)-4-pentylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-4-pentylaniline is sourced from PubChem (CID 55109450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).