N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide

C14H19N3O3 — CID 43397885

IUPACN,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-19-7-5-17(6-8-20-2)14(18)11-3-4-12-13(9-11)16-10-15-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)
InChIKeyCJKFQLQCHZZWPO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.30
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide

N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 43397885) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
PubChem CID43397885
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-19-7-5-17(6-8-20-2)14(18)11-3-4-12-13(9-11)16-10-15-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)
InChIKeyCJKFQLQCHZZWPO-UHFFFAOYSA-N
XLogP1.30
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 54876843
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 155946321
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
4-[3H-benzimidazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60827417
ethyl 2-[3H-benzimidazole-5-carbonyl(prop-2-enyl)amino]acetate
CID 115538918
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide (CID 43397885) is N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide is COCCN(CCOC)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is CJKFQLQCHZZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-7-5-17(6-8-20-2)14(18)11-3-4-12-13(9-11)16-10-15-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,16).
What are the key properties of N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.30, 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)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43397885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).