N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C23H21N3O2 — CID 18206563

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc3c4c(cccc24)CC3)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-25-19-7-2-3-8-20(19)26(23(25)28)14-13-21(27)24-18-12-11-16-10-9-15-5-4-6-17(18)22(15)16/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,27)
InChIKeyMZJYDUUCGXWHTA-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.62
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18206563) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18206563
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc3c4c(cccc24)CC3)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-25-19-7-2-3-8-20(19)26(23(25)28)14-13-21(27)24-18-12-11-16-10-9-15-5-4-6-17(18)22(15)16/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,27)
InChIKeyMZJYDUUCGXWHTA-UHFFFAOYSA-N
XLogP3.62
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 16591562
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16591097
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
CID 16597390
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18225583
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18285888
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 800367
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-nitrophenyl)propanamide
CID 16961963
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 18206563) is N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is Cn1c(=O)n(CCC(=O)Nc2ccc3c4c(cccc24)CC3)c2ccccc21.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is MZJYDUUCGXWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-25-19-7-2-3-8-20(19)26(23(25)28)14-13-21(27)24-18-12-11-16-10-9-15-5-4-6-17(18)22(15)16/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,27).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 371.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18206563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).