N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H25N3O3 — CID 90640285

IUPACN,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C15H25N3O3/c1-11-16-13-5-4-12(10-14(13)17-11)15(19)18(6-8-20-2)7-9-21-3/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeyWCGRHXUWQBKKLK-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.94
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640285) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640285
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C15H25N3O3/c1-11-16-13-5-4-12(10-14(13)17-11)15(19)18(6-8-20-2)7-9-21-3/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeyWCGRHXUWQBKKLK-UHFFFAOYSA-N
XLogP0.94
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640285) is N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is COCCN(CCOC)C(=O)C1CCc2nc(C)[nH]c2C1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is WCGRHXUWQBKKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-16-13-5-4-12(10-14(13)17-11)15(19)18(6-8-20-2)7-9-21-3/h12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).