[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine

C14H19N3O — CID 95457106

IUPAC[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
SMILESCC(C)COc1ccc(-c2cnc(CN)[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)9-18-12-5-3-11(4-6-12)13-8-16-14(7-15)17-13/h3-6,8,10H,7,9,15H2,1-2H3,(H,16,17)
InChIKeyISVPADPGOMONFE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.57
Rot. Bonds5

About [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine

[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine (PubChem CID 95457106) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
PubChem CID95457106
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
SMILESCC(C)COc1ccc(-c2cnc(CN)[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)9-18-12-5-3-11(4-6-12)13-8-16-14(7-15)17-13/h3-6,8,10H,7,9,15H2,1-2H3,(H,16,17)
InChIKeyISVPADPGOMONFE-UHFFFAOYSA-N
XLogP2.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine
CID 134421398
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847041
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
CID 142805619
2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile
CID 82299236
2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
CID 12986051
2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60842321
(5-pyridin-3-yl-1H-imidazol-2-yl)methanamine
CID 43649236

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine (CID 95457106) is [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine is CC(C)COc1ccc(-c2cnc(CN)[nH]2)cc1.
What is the InChIKey of [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine?
The InChIKey is ISVPADPGOMONFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)9-18-12-5-3-11(4-6-12)13-8-16-14(7-15)17-13/h3-6,8,10H,7,9,15H2,1-2H3,(H,16,17).
What are the key properties of [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine?
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 95457106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).