[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone

C15H17N3O2 — CID 121105751

IUPAC[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N1CC(CO)C1
InChIInChI=1S/C15H17N3O2/c19-10-13-8-18(9-13)15(20)14-3-1-12(2-4-14)7-17-6-5-16-11-17/h1-6,11,13,19H,7-10H2
InChIKeyPODNHDHPMSZQFS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.00
Rot. Bonds4

About [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone

[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 121105751) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID121105751
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N1CC(CO)C1
InChIInChI=1S/C15H17N3O2/c19-10-13-8-18(9-13)15(20)14-3-1-12(2-4-14)7-17-6-5-16-11-17/h1-6,11,13,19H,7-10H2
InChIKeyPODNHDHPMSZQFS-UHFFFAOYSA-N
XLogP1.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121154036
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
[4-(imidazol-1-ylmethyl)phenyl]-[3-(prop-2-ynoxymethyl)piperidin-1-yl]methanone
CID 90505298
[(3S,4R)-3-amino-4-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 167956107
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 90594651
[4-(imidazol-1-ylmethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346774
2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249016
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 86991463

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone (CID 121105751) is [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2ccnc2)cc1)N1CC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is PODNHDHPMSZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-10-13-8-18(9-13)15(20)14-3-1-12(2-4-14)7-17-6-5-16-11-17/h1-6,11,13,19H,7-10H2.
What are the key properties of [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 121105751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).