N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide

C24H27N3O2 — CID 95143087

IUPACN-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)CCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)c(C)c1
InChIInChI=1S/C24H27N3O2/c1-17-8-9-21(18(2)14-17)26-22(28)10-12-27-16-25-23(19-6-4-3-5-7-19)24(27)20-11-13-29-15-20/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyQWTIZCFKZMBOCV-HXUWFJFHSA-N
MW389.50 g/mol
LogP4.70
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide

N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide (PubChem CID 95143087) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide
PubChem CID95143087
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)CCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)c(C)c1
InChIInChI=1S/C24H27N3O2/c1-17-8-9-21(18(2)14-17)26-22(28)10-12-27-16-25-23(19-6-4-3-5-7-19)24(27)20-11-13-29-15-20/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyQWTIZCFKZMBOCV-HXUWFJFHSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one
CID 136907609
3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 861961
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
N-(2-methoxy-5-methylphenyl)-3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)propanamide
CID 50827167
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1206490
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 3672749
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide (CID 95143087) is N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide is Cc1ccc(NC(=O)CCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide?
The InChIKey is QWTIZCFKZMBOCV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-8-9-21(18(2)14-17)26-22(28)10-12-27-16-25-23(19-6-4-3-5-7-19)24(27)20-11-13-29-15-20/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,26,28)/t20-/m1/s1.
What are the key properties of N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide?
N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide is sourced from PubChem (CID 95143087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).