2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide

C19H21N3O — CID 3914216

IUPAC2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(C)c2C)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-4-12-22-17-11-6-5-10-16(17)20-19(22)21-18(23)15-9-7-8-13(2)14(15)3/h5-11H,4,12H2,1-3H3,(H,20,21,23)
InChIKeyWCERJOZSLBOGKY-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.32
Rot. Bonds4

About 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide

2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 3914216) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID3914216
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(C)c2C)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-4-12-22-17-11-6-5-10-16(17)20-19(22)21-18(23)15-9-7-8-13(2)14(15)3/h5-11H,4,12H2,1-3H3,(H,20,21,23)
InChIKeyWCERJOZSLBOGKY-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide (CID 3914216) is 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2cccc(C)c2C)nc2ccccc21.
What is the InChIKey of 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is WCERJOZSLBOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-12-22-17-11-6-5-10-16(17)20-19(22)21-18(23)15-9-7-8-13(2)14(15)3/h5-11H,4,12H2,1-3H3,(H,20,21,23).
What are the key properties of 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide?
2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 3914216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).