(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol

C17H23N3O2 — CID 110146435

IUPAC(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol
SMILESCN(Cc1cncn1C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C17H23N3O2/c1-19(11-13-10-18-12-20(13)2)15-8-9-16(17(15)21)22-14-6-4-3-5-7-14/h3-7,10,12,15-17,21H,8-9,11H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyNUROGLAQYTVUDX-IKGGRYGDSA-N
MW301.39 g/mol
LogP1.82
Rot. Bonds5

About (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol

(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol (PubChem CID 110146435) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol
PubChem CID110146435
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol
SMILESCN(Cc1cncn1C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C17H23N3O2/c1-19(11-13-10-18-12-20(13)2)15-8-9-16(17(15)21)22-14-6-4-3-5-7-14/h3-7,10,12,15-17,21H,8-9,11H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyNUROGLAQYTVUDX-IKGGRYGDSA-N
XLogP1.82
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol?
The IUPAC name of (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol (CID 110146435) is (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol.
What is the SMILES notation for (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol?
The canonical SMILES for (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol is CN(Cc1cncn1C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O.
What is the InChIKey of (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol?
The InChIKey is NUROGLAQYTVUDX-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(11-13-10-18-12-20(13)2)15-8-9-16(17(15)21)22-14-6-4-3-5-7-14/h3-7,10,12,15-17,21H,8-9,11H2,1-2H3/t15-,16+,17+/m1/s1.
What are the key properties of (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol?
(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol is sourced from PubChem (CID 110146435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).