[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol

C15H19N3O — CID 79479608

IUPAC[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C15H19N3O/c19-11-15(5-6-15)10-17-9-13-1-3-14(4-2-13)18-8-7-16-12-18/h1-4,7-8,12,17,19H,5-6,9-11H2
InChIKeyFKMKYSRMQOYJPR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.73
Rot. Bonds6

About [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79479608) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79479608
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C15H19N3O/c19-11-15(5-6-15)10-17-9-13-1-3-14(4-2-13)18-8-7-16-12-18/h1-4,7-8,12,17,19H,5-6,9-11H2
InChIKeyFKMKYSRMQOYJPR-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478336
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol (CID 79479608) is [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is FKMKYSRMQOYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-11-15(5-6-15)10-17-9-13-1-3-14(4-2-13)18-8-7-16-12-18/h1-4,7-8,12,17,19H,5-6,9-11H2.
What are the key properties of [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 257.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).