N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C24H20N4O3 — CID 16602721

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c2ccccc21
InChIInChI=1S/C24H20N4O3/c1-27-19-7-3-4-8-20(19)28(24(27)30)15-14-22(29)25-17-12-10-16(11-13-17)23-26-18-6-2-5-9-21(18)31-23/h2-13H,14-15H2,1H3,(H,25,29)
InChIKeyCNNHMGGGJGRUJP-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.18
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 16602721) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID16602721
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c2ccccc21
InChIInChI=1S/C24H20N4O3/c1-27-19-7-3-4-8-20(19)28(24(27)30)15-14-22(29)25-17-12-10-16(11-13-17)23-26-18-6-2-5-9-21(18)31-23/h2-13H,14-15H2,1H3,(H,25,29)
InChIKeyCNNHMGGGJGRUJP-UHFFFAOYSA-N
XLogP4.18
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16598987
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-nitrophenyl)propanamide
CID 16961963
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 43040516
N-[4-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 23100939
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593057
N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592019
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592754
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 31158415

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 16602721) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is Cn1c(=O)n(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c2ccccc21.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is CNNHMGGGJGRUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-27-19-7-3-4-8-20(19)28(24(27)30)15-14-22(29)25-17-12-10-16(11-13-17)23-26-18-6-2-5-9-21(18)31-23/h2-13H,14-15H2,1H3,(H,25,29).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 412.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 16602721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).