1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine

C17H23N3O — CID 106563505

IUPAC1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine
SMILESCOc1cccc(CNc2nc(C)cn2C2CCCC2)c1
InChIInChI=1S/C17H23N3O/c1-13-12-20(15-7-3-4-8-15)17(19-13)18-11-14-6-5-9-16(10-14)21-2/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3,(H,18,19)
InChIKeyAJONSMGEMAMAML-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.93
Rot. Bonds5

About 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine

1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine (PubChem CID 106563505) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine
PubChem CID106563505
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine
SMILESCOc1cccc(CNc2nc(C)cn2C2CCCC2)c1
InChIInChI=1S/C17H23N3O/c1-13-12-20(15-7-3-4-8-15)17(19-13)18-11-14-6-5-9-16(10-14)21-2/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3,(H,18,19)
InChIKeyAJONSMGEMAMAML-UHFFFAOYSA-N
XLogP3.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560930
1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559875
N-[(3-methoxyphenyl)methyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106563494
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine
CID 106564203
N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106574191
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
2-N-cyclohexyl-4-N-[(3-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900797
1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine
CID 106581012
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine (CID 106563505) is 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine is COc1cccc(CNc2nc(C)cn2C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine?
The InChIKey is AJONSMGEMAMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-12-20(15-7-3-4-8-15)17(19-13)18-11-14-6-5-9-16(10-14)21-2/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine?
1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106563505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).