(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol

C19H23N3O2 — CID 97002401

IUPAC(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol
SMILESCc1ccc([C@](C)(O)CNCc2cnc(C)n2-c2ccccc2)o1
InChIInChI=1S/C19H23N3O2/c1-14-9-10-18(24-14)19(3,23)13-20-11-17-12-21-15(2)22(17)16-7-5-4-6-8-16/h4-10,12,20,23H,11,13H2,1-3H3/t19-/m1/s1
InChIKeyBGYAWACEXLGJAB-LJQANCHMSA-N
MW325.41 g/mol
LogP3.08
Rot. Bonds6

About (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol

(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol (PubChem CID 97002401) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol
PubChem CID97002401
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol
SMILESCc1ccc([C@](C)(O)CNCc2cnc(C)n2-c2ccccc2)o1
InChIInChI=1S/C19H23N3O2/c1-14-9-10-18(24-14)19(3,23)13-20-11-17-12-21-15(2)22(17)16-7-5-4-6-8-16/h4-10,12,20,23H,11,13H2,1-3H3/t19-/m1/s1
InChIKeyBGYAWACEXLGJAB-LJQANCHMSA-N
XLogP3.08
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468482
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
CID 79178650
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
1-(2-methyl-3-phenylimidazol-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392406
1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468456
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine
CID 79179103
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
CID 111468470
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol (CID 97002401) is (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol is Cc1ccc([C@](C)(O)CNCc2cnc(C)n2-c2ccccc2)o1.
What is the InChIKey of (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol?
The InChIKey is BGYAWACEXLGJAB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-9-10-18(24-14)19(3,23)13-20-11-17-12-21-15(2)22(17)16-7-5-4-6-8-16/h4-10,12,20,23H,11,13H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol?
(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol has a molecular weight of 325.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 97002401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).