3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide

C20H26N6O2 — CID 166250000

IUPAC3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(N(C)C)n3)cc21
InChIInChI=1S/C20H26N6O2/c1-24(2)10-11-26-17-12-14(8-9-16(17)23-20(26)28)19(27)21-13-15-6-5-7-18(22-15)25(3)4/h5-9,12H,10-11,13H2,1-4H3,(H,21,27)(H,23,28)
InChIKeyZZTGJXXIBOVTJF-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.28
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide

3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 166250000) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID166250000
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(N(C)C)n3)cc21
InChIInChI=1S/C20H26N6O2/c1-24(2)10-11-26-17-12-14(8-9-16(17)23-20(26)28)19(27)21-13-15-6-5-7-18(22-15)25(3)4/h5-9,12H,10-11,13H2,1-4H3,(H,21,27)(H,23,28)
InChIKeyZZTGJXXIBOVTJF-UHFFFAOYSA-N
XLogP1.28
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide
CID 155953759
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide
CID 71909889
3-(2-aminoethyl)-N-benzyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831579
N-[1-(1-adamantyl)-2-phenylethyl]-3-[2-(dimethylamino)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 166357926
3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide
CID 75524262
3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 167863877
3-(2-aminoethyl)-N-(3,3-dihydroxy-2-phenylpropyl)-2-oxo-1H-benzimidazole-5-carboxamide
CID 140579042
3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831509
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 176698652
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70759845
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea
CID 99819593

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide (CID 166250000) is 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide is CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(N(C)C)n3)cc21.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is ZZTGJXXIBOVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24(2)10-11-26-17-12-14(8-9-16(17)23-20(26)28)19(27)21-13-15-6-5-7-18(22-15)25(3)4/h5-9,12H,10-11,13H2,1-4H3,(H,21,27)(H,23,28).
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166250000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).