N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide

C20H26N4O2 — CID 110127780

IUPACN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N[C@@H]1CCCC(n2ccnc2)[C@@H]1O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H26N4O2/c25-19-17(4-3-5-18(19)24-13-10-21-14-24)22-20(26)15-6-8-16(9-7-15)23-11-1-2-12-23/h6-10,13-14,17-19,25H,1-5,11-12H2,(H,22,26)/t17-,18?,19-/m1/s1
InChIKeyPJEGPIPUELFNQQ-ZYYFHIKCSA-N
MW354.45 g/mol
LogP2.37
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide

N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 110127780) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID110127780
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N[C@@H]1CCCC(n2ccnc2)[C@@H]1O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H26N4O2/c25-19-17(4-3-5-18(19)24-13-10-21-14-24)22-20(26)15-6-8-16(9-7-15)23-11-1-2-12-23/h6-10,13-14,17-19,25H,1-5,11-12H2,(H,22,26)/t17-,18?,19-/m1/s1
InChIKeyPJEGPIPUELFNQQ-ZYYFHIKCSA-N
XLogP2.37
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
CID 110127815
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 110127788
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136587543
2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
CID 110127757
2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110127802
3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
CID 95572970
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide (CID 110127780) is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide is O=C(N[C@@H]1CCCC(n2ccnc2)[C@@H]1O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is PJEGPIPUELFNQQ-ZYYFHIKCSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19-17(4-3-5-18(19)24-13-10-21-14-24)22-20(26)15-6-8-16(9-7-15)23-11-1-2-12-23/h6-10,13-14,17-19,25H,1-5,11-12H2,(H,22,26)/t17-,18?,19-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide?
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 110127780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).