1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol

C16H21N3O2 — CID 13157410

IUPAC1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCc1cnc(-c2ccc(OCC(O)CNC3CC3)cc2)[nH]1
InChIInChI=1S/C16H21N3O2/c1-11-8-18-16(19-11)12-2-6-15(7-3-12)21-10-14(20)9-17-13-4-5-13/h2-3,6-8,13-14,17,20H,4-5,9-10H2,1H3,(H,18,19)
InChIKeyIYMAXFCXQCDXTB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.88
Rot. Bonds7

About 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol

1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 13157410) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID13157410
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCc1cnc(-c2ccc(OCC(O)CNC3CC3)cc2)[nH]1
InChIInChI=1S/C16H21N3O2/c1-11-8-18-16(19-11)12-2-6-15(7-3-12)21-10-14(20)9-17-13-4-5-13/h2-3,6-8,13-14,17,20H,4-5,9-10H2,1H3,(H,18,19)
InChIKeyIYMAXFCXQCDXTB-UHFFFAOYSA-N
XLogP1.88
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanol
CID 6422122
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878481
(R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565738
(R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565739
(R)-2-amino-2-(4-(4-(octyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44591265
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
1-[(Propan-2-yl)amino]-3-{4-[4-(thiophen-2-yl)-1H-imidazol-2-yl]phenoxy}propan-2-ol
CID 13157406

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 13157410) is 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol is Cc1cnc(-c2ccc(OCC(O)CNC3CC3)cc2)[nH]1.
What is the InChIKey of 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is IYMAXFCXQCDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-8-18-16(19-11)12-2-6-15(7-3-12)21-10-14(20)9-17-13-4-5-13/h2-3,6-8,13-14,17,20H,4-5,9-10H2,1H3,(H,18,19).
What are the key properties of 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 13157410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).