4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide

C29H32N6O2 — CID 15956501

IUPAC4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)CCn1c(Cn2c(=O)n(Cc3ccc(C(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21
InChIInChI=1S/C29H32N6O2/c1-31(2)17-18-33-24-10-6-5-9-23(24)30-27(33)20-35-26-12-8-7-11-25(26)34(29(35)37)19-21-13-15-22(16-14-21)28(36)32(3)4/h5-16H,17-20H2,1-4H3
InChIKeySVYKCTNVXJIYRM-UHFFFAOYSA-N
MW496.62 g/mol
LogP3.51
Rot. Bonds8

About 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide

4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 15956501) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID15956501
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)CCn1c(Cn2c(=O)n(Cc3ccc(C(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21
InChIInChI=1S/C29H32N6O2/c1-31(2)17-18-33-24-10-6-5-9-23(24)30-27(33)20-35-26-12-8-7-11-25(26)34(29(35)37)19-21-13-15-22(16-14-21)28(36)32(3)4/h5-16H,17-20H2,1-4H3
InChIKeySVYKCTNVXJIYRM-UHFFFAOYSA-N
XLogP3.51
TPSA68.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide (CID 15956501) is 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)CCn1c(Cn2c(=O)n(Cc3ccc(C(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21.
What is the InChIKey of 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is SVYKCTNVXJIYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-31(2)17-18-33-24-10-6-5-9-23(24)30-27(33)20-35-26-12-8-7-11-25(26)34(29(35)37)19-21-13-15-22(16-14-21)28(36)32(3)4/h5-16H,17-20H2,1-4H3.
What are the key properties of 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 496.62 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 15956501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).