1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide

C19H19N3O2 — CID 23945501

IUPAC1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-21(4-2)19(24)17-20-15-12-8-9-13-16(15)22(17)18(23)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyMYYHAYHPCXNRGJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds4

About 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide

1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide (PubChem CID 23945501) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide
PubChem CID23945501
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-21(4-2)19(24)17-20-15-12-8-9-13-16(15)22(17)18(23)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyMYYHAYHPCXNRGJ-UHFFFAOYSA-N
XLogP3.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide?
The IUPAC name of 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide (CID 23945501) is 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide?
The canonical SMILES for 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide is CCN(CC)C(=O)c1nc2ccccc2n1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide?
The InChIKey is MYYHAYHPCXNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-21(4-2)19(24)17-20-15-12-8-9-13-16(15)22(17)18(23)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide?
1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide is sourced from PubChem (CID 23945501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).