5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile

C15H18N4O — CID 106721101

IUPAC5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(Cn2cnc(CC(C)N)c2)cc1C#N
InChIInChI=1S/C15H18N4O/c1-11(17)5-14-9-19(10-18-14)8-12-3-4-15(20-2)13(6-12)7-16/h3-4,6,9-11H,5,8,17H2,1-2H3
InChIKeyVFDUOTOIWNRSHZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.70
Rot. Bonds5

About 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile

5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile (PubChem CID 106721101) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
PubChem CID106721101
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(Cn2cnc(CC(C)N)c2)cc1C#N
InChIInChI=1S/C15H18N4O/c1-11(17)5-14-9-19(10-18-14)8-12-3-4-15(20-2)13(6-12)7-16/h3-4,6,9-11H,5,8,17H2,1-2H3
InChIKeyVFDUOTOIWNRSHZ-UHFFFAOYSA-N
XLogP1.70
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 106793406
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721217
2-methoxy-5-[[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 66404758
5-(aminomethyl)-2-methoxybenzonitrile;hydrochloride
CID 71756830
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
5-[(3-acetylpyrrol-1-yl)methyl]-2-methoxybenzonitrile
CID 79107365
1-[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718473
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile (CID 106721101) is 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile is COc1ccc(Cn2cnc(CC(C)N)c2)cc1C#N.
What is the InChIKey of 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile?
The InChIKey is VFDUOTOIWNRSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(17)5-14-9-19(10-18-14)8-12-3-4-15(20-2)13(6-12)7-16/h3-4,6,9-11H,5,8,17H2,1-2H3.
What are the key properties of 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile?
5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106721101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).