N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C24H28N4O3 — CID 17030150

IUPACN-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(C(C)NC(=O)C3CCCO3)nc3ccccc32)cc1C
InChIInChI=1S/C24H28N4O3/c1-15-10-11-18(13-16(15)2)26-22(29)14-28-20-8-5-4-7-19(20)27-23(28)17(3)25-24(30)21-9-6-12-31-21/h4-5,7-8,10-11,13,17,21H,6,9,12,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyBGILZHRRKZIMJJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.65
Rot. Bonds6

About N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 17030150) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID17030150
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(C(C)NC(=O)C3CCCO3)nc3ccccc32)cc1C
InChIInChI=1S/C24H28N4O3/c1-15-10-11-18(13-16(15)2)26-22(29)14-28-20-8-5-4-7-19(20)27-23(28)17(3)25-24(30)21-9-6-12-31-21/h4-5,7-8,10-11,13,17,21H,6,9,12,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyBGILZHRRKZIMJJ-UHFFFAOYSA-N
XLogP3.65
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 17030150) is N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)Cn2c(C(C)NC(=O)C3CCCO3)nc3ccccc32)cc1C.
What is the InChIKey of N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is BGILZHRRKZIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-10-11-18(13-16(15)2)26-22(29)14-28-20-8-5-4-7-19(20)27-23(28)17(3)25-24(30)21-9-6-12-31-21/h4-5,7-8,10-11,13,17,21H,6,9,12,14H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 17030150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).