3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one

C19H21N5O — CID 15956494

IUPAC3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
SMILESCN(C)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21
InChIInChI=1S/C19H21N5O/c1-22(2)11-12-23-16-9-5-3-7-14(16)20-18(23)13-24-17-10-6-4-8-15(17)21-19(24)25/h3-10H,11-13H2,1-2H3,(H,21,25)
InChIKeyDASNWFHQAZOALZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.29
Rot. Bonds5

About 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one

3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one (PubChem CID 15956494) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
PubChem CID15956494
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
SMILESCN(C)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21
InChIInChI=1S/C19H21N5O/c1-22(2)11-12-23-16-9-5-3-7-14(16)20-18(23)13-24-17-10-6-4-8-15(17)21-19(24)25/h3-10H,11-13H2,1-2H3,(H,21,25)
InChIKeyDASNWFHQAZOALZ-UHFFFAOYSA-N
XLogP2.29
TPSA58.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 74187
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CID 5328453
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CID 249097
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CID 623893
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CID 445756
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CID 639427
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CID 599038
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one (CID 15956494) is 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one is CN(C)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21.
What is the InChIKey of 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
The InChIKey is DASNWFHQAZOALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-22(2)11-12-23-16-9-5-3-7-14(16)20-18(23)13-24-17-10-6-4-8-15(17)21-19(24)25/h3-10H,11-13H2,1-2H3,(H,21,25).
What are the key properties of 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 15956494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).