[5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol

C14H19N3O2 — CID 50955573

IUPAC[5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol
SMILESCn1ccnc1CN(Cc1ccc(CO)o1)C1CC1
InChIInChI=1S/C14H19N3O2/c1-16-7-6-15-14(16)9-17(11-2-3-11)8-12-4-5-13(10-18)19-12/h4-7,11,18H,2-3,8-10H2,1H3
InChIKeyLMUNQBPRQFIGOL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.67
Rot. Bonds6

About [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol

[5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol (PubChem CID 50955573) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol
PubChem CID50955573
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol
SMILESCn1ccnc1CN(Cc1ccc(CO)o1)C1CC1
InChIInChI=1S/C14H19N3O2/c1-16-7-6-15-14(16)9-17(11-2-3-11)8-12-4-5-13(10-18)19-12/h4-7,11,18H,2-3,8-10H2,1H3
InChIKeyLMUNQBPRQFIGOL-UHFFFAOYSA-N
XLogP1.67
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol (CID 50955573) is [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol is Cn1ccnc1CN(Cc1ccc(CO)o1)C1CC1.
What is the InChIKey of [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is LMUNQBPRQFIGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-7-6-15-14(16)9-17(11-2-3-11)8-12-4-5-13(10-18)19-12/h4-7,11,18H,2-3,8-10H2,1H3.
What are the key properties of [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol?
[5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 50955573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).