N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine

C15H25N5O — CID 106570090

IUPACN-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCCc1cn[nH]c1C
InChIInChI=1S/C15H25N5O/c1-12-11-20(15(18-12)16-7-5-9-21-3)8-4-6-14-10-17-19-13(14)2/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMVVRKKMHSBUJQH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.30
Rot. Bonds9

About N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine

N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine (PubChem CID 106570090) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
PubChem CID106570090
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCCc1cn[nH]c1C
InChIInChI=1S/C15H25N5O/c1-12-11-20(15(18-12)16-7-5-9-21-3)8-4-6-14-10-17-19-13(14)2/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMVVRKKMHSBUJQH-UHFFFAOYSA-N
XLogP2.30
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
CID 106570045
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106571519
N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571929
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
1-(3-methoxypropyl)-4-methyl-N-(2-morpholin-4-ylethyl)imidazol-2-amine
CID 106559331

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine (CID 106570090) is N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine is COCCCNc1nc(C)cn1CCCc1cn[nH]c1C.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
The InChIKey is MVVRKKMHSBUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12-11-20(15(18-12)16-7-5-9-21-3)8-4-6-14-10-17-19-13(14)2/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine is sourced from PubChem (CID 106570090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).