N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide

C22H26N4O2 — CID 50951245

IUPACN-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide
SMILESCC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1C
InChIInChI=1S/C22H26N4O2/c1-15-12-20(16(2)26(15)24-17(3)27)22-21(18-8-5-4-6-9-18)23-14-25(22)13-19-10-7-11-28-19/h4-6,8-9,12,14,19H,7,10-11,13H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyLCEGKHQGEWCNQM-LJQANCHMSA-N
MW378.48 g/mol
LogP3.90
Rot. Bonds5

About N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide

N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide (PubChem CID 50951245) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide
PubChem CID50951245
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide
SMILESCC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1C
InChIInChI=1S/C22H26N4O2/c1-15-12-20(16(2)26(15)24-17(3)27)22-21(18-8-5-4-6-9-18)23-14-25(22)13-19-10-7-11-28-19/h4-6,8-9,12,14,19H,7,10-11,13H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyLCEGKHQGEWCNQM-LJQANCHMSA-N
XLogP3.90
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol
CID 50970566
3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
CID 50983448
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 157297754
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3888677
1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 8570032
2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine
CID 164857267
N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide
CID 44615155
3-(oxolan-2-ylmethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 90331972

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide (CID 50951245) is N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide is CC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1C.
What is the InChIKey of N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide?
The InChIKey is LCEGKHQGEWCNQM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-12-20(16(2)26(15)24-17(3)27)22-21(18-8-5-4-6-9-18)23-14-25(22)13-19-10-7-11-28-19/h4-6,8-9,12,14,19H,7,10-11,13H2,1-3H3,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide?
N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 50951245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).