1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol

C21H33N3O2 — CID 18349648

IUPAC1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol
SMILESCCCCC(O)c1cc(C(C)(C)NCCCn2ccnc2)ccc1OC
InChIInChI=1S/C21H33N3O2/c1-5-6-8-19(25)18-15-17(9-10-20(18)26-4)21(2,3)23-11-7-13-24-14-12-22-16-24/h9-10,12,14-16,19,23,25H,5-8,11,13H2,1-4H3
InChIKeyGQRVKUALPHVDRQ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.03
Rot. Bonds11

About 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol

1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol (PubChem CID 18349648) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol.

Molecular Properties

Compound Name1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol
PubChem CID18349648
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol
SMILESCCCCC(O)c1cc(C(C)(C)NCCCn2ccnc2)ccc1OC
InChIInChI=1S/C21H33N3O2/c1-5-6-8-19(25)18-15-17(9-10-20(18)26-4)21(2,3)23-11-7-13-24-14-12-22-16-24/h9-10,12,14-16,19,23,25H,5-8,11,13H2,1-4H3
InChIKeyGQRVKUALPHVDRQ-UHFFFAOYSA-N
XLogP4.03
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-pentylphenoxy]-N-methylacetamide
CID 18349702
[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] pentanoate
CID 19429473
2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]pentanoic acid
CID 67612775
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
CID 19429444
4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-N,N-dipropylbenzenesulfonamide
CID 18349761
(E)-3-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]-N-pentylprop-2-enamide
CID 18349565
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
CID 84556329
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
N-(3-imidazol-1-ylpropyl)-2-(4-phenylmethoxyphenyl)propan-2-amine;dihydrochloride
CID 18349638
N-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 18349562
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol?
The IUPAC name of 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol (CID 18349648) is 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol.
What is the SMILES notation for 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol?
The canonical SMILES for 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol is CCCCC(O)c1cc(C(C)(C)NCCCn2ccnc2)ccc1OC.
What is the InChIKey of 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol?
The InChIKey is GQRVKUALPHVDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-6-8-19(25)18-15-17(9-10-20(18)26-4)21(2,3)23-11-7-13-24-14-12-22-16-24/h9-10,12,14-16,19,23,25H,5-8,11,13H2,1-4H3.
What are the key properties of 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol?
1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol has a molecular weight of 359.51 g/mol, XLogP of 4.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-methoxyphenyl]pentan-1-ol is sourced from PubChem (CID 18349648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).