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

C14H23N3O3 — CID 91628311

IUPACN,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H23N3O3/c1-19-7-5-17(6-8-20-2)14(18)11-3-4-12-13(9-11)16-10-15-12/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeySUMKUWROSWXAOE-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.64
Rot. Bonds7

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

N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628311) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628311
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H23N3O3/c1-19-7-5-17(6-8-20-2)14(18)11-3-4-12-13(9-11)16-10-15-12/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeySUMKUWROSWXAOE-UHFFFAOYSA-N
XLogP0.64
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639933
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354601
(5S)-N-[(2R)-1-methoxypropan-2-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660213
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628312
N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 22962010
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628376
(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662008
sulfo 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylate
CID 141087023
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 22961968
N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640134

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628311) is N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is COCCN(CCOC)C(=O)C1CCc2nc[nH]c2C1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is SUMKUWROSWXAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-19-7-5-17(6-8-20-2)14(18)11-3-4-12-13(9-11)16-10-15-12/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.64, 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)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).