[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine

C13H16ClN3O — CID 82304284

IUPAC[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
SMILESCC(C)Oc1ccc(-c2nc[nH]c2CN)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-8(2)18-12-4-3-9(5-10(12)14)13-11(6-15)16-7-17-13/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyHDHVDZOTPNFVRJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.98
Rot. Bonds4

About [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine

[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine (PubChem CID 82304284) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
PubChem CID82304284
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
SMILESCC(C)Oc1ccc(-c2nc[nH]c2CN)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-8(2)18-12-4-3-9(5-10(12)14)13-11(6-15)16-7-17-13/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyHDHVDZOTPNFVRJ-UHFFFAOYSA-N
XLogP2.98
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248
2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 98022877
2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 82303522
3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269231
2-amino-4-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 98019781
3-chloro-4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]aniline
CID 141302640
N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 117000099
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene
CID 126760257
[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82485077
5-(3-chloro-4-propan-2-yloxyphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 163703791

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine (CID 82304284) is [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine is CC(C)Oc1ccc(-c2nc[nH]c2CN)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is HDHVDZOTPNFVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8(2)18-12-4-3-9(5-10(12)14)13-11(6-15)16-7-17-13/h3-5,7-8H,6,15H2,1-2H3,(H,16,17).
What are the key properties of [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine?
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 265.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82304284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).