3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide

C19H21N3O2 — CID 20961985

IUPAC3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCc1cc2c(cc1NC(=O)CCc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C19H21N3O2/c1-13-11-16-17(22(3)19(24)21(16)2)12-15(13)20-18(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)
InChIKeyFWKTXLLTGSRXLB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.76
Rot. Bonds4

About 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide

3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide (PubChem CID 20961985) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
PubChem CID20961985
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCc1cc2c(cc1NC(=O)CCc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C19H21N3O2/c1-13-11-16-17(22(3)19(24)21(16)2)12-15(13)20-18(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)
InChIKeyFWKTXLLTGSRXLB-UHFFFAOYSA-N
XLogP2.76
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide (CID 20961985) is 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide is Cc1cc2c(cc1NC(=O)CCc1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
The InChIKey is FWKTXLLTGSRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-11-16-17(22(3)19(24)21(16)2)12-15(13)20-18(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,23).
What are the key properties of 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 20961985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).