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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Related Compounds

1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
CID 142985780
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
CID 24963331
N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
CID 68999797
N,N-dibutyl-2-(2-methoxycarbazol-9-yl)acetamide;9-(3,3-dimethylbutyl)-2-methoxycarbazole;2-(2-methoxycarbazol-9-yl)-N,N-bis(2-methylpropyl)acetamide
CID 143217110
N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide
CID 57438515
N,N-dibutyl-2-(6-methoxy-3-methylindazol-1-yl)acetamide
CID 143018288
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16998160
2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide
CID 90871410
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
CID 155143022
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
CID 68999731

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).