4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol

C16H23N3O — CID 64811969

IUPAC4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13(2)18-15(12-20)8-10-19-11-9-17-16(19)14-6-4-3-5-7-14/h3-7,9,11,13,15,18,20H,8,10,12H2,1-2H3
InChIKeyYIRMUOMLXXMKOV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.30
Rot. Bonds7

About 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol

4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64811969) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64811969
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13(2)18-15(12-20)8-10-19-11-9-17-16(19)14-6-4-3-5-7-14/h3-7,9,11,13,15,18,20H,8,10,12H2,1-2H3
InChIKeyYIRMUOMLXXMKOV-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine
CID 62042759
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol
CID 64810293
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 55139509
4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64810311
3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol
CID 95549869
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol (CID 64811969) is 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(CO)CCn1ccnc1-c1ccccc1.
What is the InChIKey of 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is YIRMUOMLXXMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)18-15(12-20)8-10-19-11-9-17-16(19)14-6-4-3-5-7-14/h3-7,9,11,13,15,18,20H,8,10,12H2,1-2H3.
What are the key properties of 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64811969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).