N-methyl-1-(4-propoxyphenyl)imidazol-2-amine

C13H17N3O — CID 106569632

IUPACN-methyl-1-(4-propoxyphenyl)imidazol-2-amine
SMILESCCCOc1ccc(-n2ccnc2NC)cc1
InChIInChI=1S/C13H17N3O/c1-3-10-17-12-6-4-11(5-7-12)16-9-8-15-13(16)14-2/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyYKHVPKNWZRPRRA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-1-(4-propoxyphenyl)imidazol-2-amine

N-methyl-1-(4-propoxyphenyl)imidazol-2-amine (PubChem CID 106569632) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-1-(4-propoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propoxyphenyl)imidazol-2-amine
PubChem CID106569632
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-1-(4-propoxyphenyl)imidazol-2-amine
SMILESCCCOc1ccc(-n2ccnc2NC)cc1
InChIInChI=1S/C13H17N3O/c1-3-10-17-12-6-4-11(5-7-12)16-9-8-15-13(16)14-2/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyYKHVPKNWZRPRRA-UHFFFAOYSA-N
XLogP2.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butoxyphenyl)-2-methylimidazole
CID 11148936
1-(4-bromophenyl)-N-methylimidazol-2-amine
CID 106558582
N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine
CID 106555769
N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106557098
4-(4-propoxyphenyl)-1,2,4-triazole
CID 91684257
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569642
4-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 62329532
1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
CID 106569649
N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556634
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
N-methyl-1-quinolin-6-ylimidazol-2-amine
CID 106570148

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
The IUPAC name of N-methyl-1-(4-propoxyphenyl)imidazol-2-amine (CID 106569632) is N-methyl-1-(4-propoxyphenyl)imidazol-2-amine.
What is the SMILES notation for N-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
The canonical SMILES for N-methyl-1-(4-propoxyphenyl)imidazol-2-amine is CCCOc1ccc(-n2ccnc2NC)cc1.
What is the InChIKey of N-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
The InChIKey is YKHVPKNWZRPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-10-17-12-6-4-11(5-7-12)16-9-8-15-13(16)14-2/h4-9H,3,10H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
N-methyl-1-(4-propoxyphenyl)imidazol-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 106569632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).