N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide

C21H24N4O3 — CID 24789844

IUPACN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O3/c1-23-18-12-16(22-20(26)14-7-6-8-15(11-14)28-3)17(25-9-4-5-10-25)13-19(18)24(2)21(23)27/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,26)
InChIKeyLYNKKLBMQLJMQE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.74
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide

N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide (PubChem CID 24789844) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
PubChem CID24789844
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O3/c1-23-18-12-16(22-20(26)14-7-6-8-15(11-14)28-3)17(25-9-4-5-10-25)13-19(18)24(2)21(23)27/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,26)
InChIKeyLYNKKLBMQLJMQE-UHFFFAOYSA-N
XLogP2.74
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide (CID 24789844) is N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The InChIKey is LYNKKLBMQLJMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-23-18-12-16(22-20(26)14-7-6-8-15(11-14)28-3)17(25-9-4-5-10-25)13-19(18)24(2)21(23)27/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide has a molecular weight of 380.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 24789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).