4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol

C15H21N3O2 — CID 43761692

IUPAC4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol
SMILESCn1ccnc1C(NC1CCC(O)CC1)c1ccco1
InChIInChI=1S/C15H21N3O2/c1-18-9-8-16-15(18)14(13-3-2-10-20-13)17-11-4-6-12(19)7-5-11/h2-3,8-12,14,17,19H,4-7H2,1H3
InChIKeyCVOZQANHURBZGL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.00
Rot. Bonds4

About 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol

4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 43761692) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol
PubChem CID43761692
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol
SMILESCn1ccnc1C(NC1CCC(O)CC1)c1ccco1
InChIInChI=1S/C15H21N3O2/c1-18-9-8-16-15(18)14(13-3-2-10-20-13)17-11-4-6-12(19)7-5-11/h2-3,8-12,14,17,19H,4-7H2,1H3
InChIKeyCVOZQANHURBZGL-UHFFFAOYSA-N
XLogP2.00
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
CID 61211228
3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64920941
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
CID 61464680
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol (CID 43761692) is 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol is Cn1ccnc1C(NC1CCC(O)CC1)c1ccco1.
What is the InChIKey of 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is CVOZQANHURBZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-9-8-16-15(18)14(13-3-2-10-20-13)17-11-4-6-12(19)7-5-11/h2-3,8-12,14,17,19H,4-7H2,1H3.
What are the key properties of 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol?
4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 43761692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).