N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C24H26N4O2 — CID 86207080

IUPACN-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)C(NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C
InChIInChI=1S/C24H26N4O2/c1-16(2)23(24-26-18-11-7-8-12-19(18)28(24)3)27-21(29)13-14-22-25-15-20(30-22)17-9-5-4-6-10-17/h4-12,15-16,23H,13-14H2,1-3H3,(H,27,29)
InChIKeyJFKFIMWUOSGATM-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.67
Rot. Bonds7

About N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 86207080) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID86207080
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)C(NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C
InChIInChI=1S/C24H26N4O2/c1-16(2)23(24-26-18-11-7-8-12-19(18)28(24)3)27-21(29)13-14-22-25-15-20(30-22)17-9-5-4-6-10-17/h4-12,15-16,23H,13-14H2,1-3H3,(H,27,29)
InChIKeyJFKFIMWUOSGATM-UHFFFAOYSA-N
XLogP4.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[1-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51310753
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 86207080) is N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CC(C)C(NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C.
What is the InChIKey of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is JFKFIMWUOSGATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16(2)23(24-26-18-11-7-8-12-19(18)28(24)3)27-21(29)13-14-22-25-15-20(30-22)17-9-5-4-6-10-17/h4-12,15-16,23H,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 402.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 86207080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).