trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol

C14H20N4O — CID 167832510

IUPACtrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1cc[nH]c1
InChIInChI=1S/C14H20N4O/c19-14-6-12(9-18-4-3-16-10-18)5-13(14)17-8-11-1-2-15-7-11/h1-4,7,10,12-15,17,19H,5-6,8-9H2/t12?,13-,14-/m1/s1
InChIKeyWRQKMXAXBXYUBW-ILMHWDKJSA-N
MW260.34 g/mol
LogP1.14
Rot. Bonds5

About trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol (PubChem CID 167832510) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol
PubChem CID167832510
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1cc[nH]c1
InChIInChI=1S/C14H20N4O/c19-14-6-12(9-18-4-3-16-10-18)5-13(14)17-8-11-1-2-15-7-11/h1-4,7,10,12-15,17,19H,5-6,8-9H2/t12?,13-,14-/m1/s1
InChIKeyWRQKMXAXBXYUBW-ILMHWDKJSA-N
XLogP1.14
TPSA65.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 146112572
trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167874914
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 167814853
trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 146112618
trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154797556
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 146112594
3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
CID 154800415
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol
CID 167752604
trans-(1R,2R)-2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167777119
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 146110372
trans-(1R,2R)-2-[[3-(hydroxymethyl)-4-pyridinyl]amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167883166

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol (CID 167832510) is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1cc[nH]c1.
What is the InChIKey of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol?
The InChIKey is WRQKMXAXBXYUBW-ILMHWDKJSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14-6-12(9-18-4-3-16-10-18)5-13(14)17-8-11-1-2-15-7-11/h1-4,7,10,12-15,17,19H,5-6,8-9H2/t12?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol?
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 167832510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).