2-benzyl-N,N-diethylbenzimidazole-1-carboxamide

C19H21N3O — CID 735650

IUPAC2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
SMILESCCN(CC)C(=O)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-3-21(4-2)19(23)22-17-13-9-8-12-16(17)20-18(22)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
InChIKeyFGFMJOQQKOVXIO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.94
Rot. Bonds4

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

2-benzyl-N,N-diethylbenzimidazole-1-carboxamide (PubChem CID 735650) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
PubChem CID735650
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
SMILESCCN(CC)C(=O)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-3-21(4-2)19(23)22-17-13-9-8-12-16(17)20-18(22)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
InChIKeyFGFMJOQQKOVXIO-UHFFFAOYSA-N
XLogP3.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide?
The IUPAC name of 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide (CID 735650) is 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide.
What is the SMILES notation for 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide?
The canonical SMILES for 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide is CCN(CC)C(=O)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide?
The InChIKey is FGFMJOQQKOVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-21(4-2)19(23)22-17-13-9-8-12-16(17)20-18(22)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide?
2-benzyl-N,N-diethylbenzimidazole-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-diethylbenzimidazole-1-carboxamide is sourced from PubChem (CID 735650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).