3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

C24H28N4O3 — CID 17030841

IUPAC3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)NCC2CCCO2)c1
InChIInChI=1S/C24H28N4O3/c1-17-6-4-7-18(14-17)24(30)25-12-11-22-27-20-9-2-3-10-21(20)28(22)16-23(29)26-15-19-8-5-13-31-19/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3,(H,25,30)(H,26,29)
InChIKeyRAPCIXJTUBEZMO-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.61
Rot. Bonds8

About 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030841) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030841
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)NCC2CCCO2)c1
InChIInChI=1S/C24H28N4O3/c1-17-6-4-7-18(14-17)24(30)25-12-11-22-27-20-9-2-3-10-21(20)28(22)16-23(29)26-15-19-8-5-13-31-19/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3,(H,25,30)(H,26,29)
InChIKeyRAPCIXJTUBEZMO-UHFFFAOYSA-N
XLogP2.61
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17030256
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030599
3-methyl-N-[2-[1-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030797
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17031184
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031542
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031571
N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029444
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030841) is 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is RAPCIXJTUBEZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-6-4-7-18(14-17)24(30)25-12-11-22-27-20-9-2-3-10-21(20)28(22)16-23(29)26-15-19-8-5-13-31-19/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).