3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C23H27N3O2 — CID 18285888

IUPAC3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2cccc3c2CCCC3)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-2-15-25-20-12-5-6-13-21(20)26(23(25)28)16-14-22(27)24-19-11-7-9-17-8-3-4-10-18(17)19/h5-7,9,11-13H,2-4,8,10,14-16H2,1H3,(H,24,27)
InChIKeyDEHHLDDFWOHVQX-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.12
Rot. Bonds6

About 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 18285888) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID18285888
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2cccc3c2CCCC3)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-2-15-25-20-12-5-6-13-21(20)26(23(25)28)16-14-22(27)24-19-11-7-9-17-8-3-4-10-18(17)19/h5-7,9,11-13H,2-4,8,10,14-16H2,1H3,(H,24,27)
InChIKeyDEHHLDDFWOHVQX-UHFFFAOYSA-N
XLogP4.12
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.12
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
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55446532
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60576683
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55732676
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 18285888) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2cccc3c2CCCC3)c2ccccc21.
What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is DEHHLDDFWOHVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-15-25-20-12-5-6-13-21(20)26(23(25)28)16-14-22(27)24-19-11-7-9-17-8-3-4-10-18(17)19/h5-7,9,11-13H,2-4,8,10,14-16H2,1H3,(H,24,27).
What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 18285888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).