2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide

C25H31N3O3 — CID 11281617

IUPAC2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(C(=O)c2ccccc2)nc2ccc(OC)cc21
InChIInChI=1S/C25H31N3O3/c1-4-6-15-27(16-7-5-2)23(29)18-28-22-17-20(31-3)13-14-21(22)26-25(28)24(30)19-11-9-8-10-12-19/h8-14,17H,4-7,15-16,18H2,1-3H3
InChIKeyNTNAWCMSGMZTHB-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.70
Rot. Bonds11

About 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide

2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide (PubChem CID 11281617) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide.

Molecular Properties

Compound Name2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
PubChem CID11281617
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(C(=O)c2ccccc2)nc2ccc(OC)cc21
InChIInChI=1S/C25H31N3O3/c1-4-6-15-27(16-7-5-2)23(29)18-28-22-17-20(31-3)13-14-21(22)26-25(28)24(30)19-11-9-8-10-12-19/h8-14,17H,4-7,15-16,18H2,1-3H3
InChIKeyNTNAWCMSGMZTHB-UHFFFAOYSA-N
XLogP4.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide?
The IUPAC name of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide (CID 11281617) is 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide.
What is the SMILES notation for 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide?
The canonical SMILES for 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide is CCCCN(CCCC)C(=O)Cn1c(C(=O)c2ccccc2)nc2ccc(OC)cc21.
What is the InChIKey of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide?
The InChIKey is NTNAWCMSGMZTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-6-15-27(16-7-5-2)23(29)18-28-22-17-20(31-3)13-14-21(22)26-25(28)24(30)19-11-9-8-10-12-19/h8-14,17H,4-7,15-16,18H2,1-3H3.
What are the key properties of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide?
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide has a molecular weight of 421.54 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide is sourced from PubChem (CID 11281617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).