N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide

C21H23N3O2 — CID 110025568

IUPACN-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCc1nccn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-21(26,18-10-6-3-7-11-18)14-20(25)23-15-19-22-12-13-24(19)16-17-8-4-2-5-9-17/h2-13,26H,14-16H2,1H3,(H,23,25)
InChIKeySPTDFAVYVTVDPD-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.85
Rot. Bonds7

About N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide

N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110025568) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110025568
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCc1nccn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-21(26,18-10-6-3-7-11-18)14-20(25)23-15-19-22-12-13-24(19)16-17-8-4-2-5-9-17/h2-13,26H,14-16H2,1H3,(H,23,25)
InChIKeySPTDFAVYVTVDPD-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
1-[(1-benzylimidazol-2-yl)methyl]-3-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 130274616
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111795784
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 50971928

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide (CID 110025568) is N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)NCc1nccn1Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is SPTDFAVYVTVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(26,18-10-6-3-7-11-18)14-20(25)23-15-19-22-12-13-24(19)16-17-8-4-2-5-9-17/h2-13,26H,14-16H2,1H3,(H,23,25).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide?
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 349.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).