4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol

C14H19N3O — CID 106719587

IUPAC4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
SMILESCC(C)NCc1cn(Cc2ccc(O)cc2)cn1
InChIInChI=1S/C14H19N3O/c1-11(2)15-7-13-9-17(10-16-13)8-12-3-5-14(18)6-4-12/h3-6,9-11,15,18H,7-8H2,1-2H3
InChIKeyPZVSJNMNOQFUPR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds5

About 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol

4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol (PubChem CID 106719587) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
PubChem CID106719587
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
SMILESCC(C)NCc1cn(Cc2ccc(O)cc2)cn1
InChIInChI=1S/C14H19N3O/c1-11(2)15-7-13-9-17(10-16-13)8-12-3-5-14(18)6-4-12/h3-6,9-11,15,18H,7-8H2,1-2H3
InChIKeyPZVSJNMNOQFUPR-UHFFFAOYSA-N
XLogP2.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol with MolForge

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204577
N-[[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719617
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719440
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719449
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719446
N-[[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719574
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719402

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol (CID 106719587) is 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol is CC(C)NCc1cn(Cc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol?
The InChIKey is PZVSJNMNOQFUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)15-7-13-9-17(10-16-13)8-12-3-5-14(18)6-4-12/h3-6,9-11,15,18H,7-8H2,1-2H3.
What are the key properties of 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol?
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 106719587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).