N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide

C14H17N3O2 — CID 54876843

IUPACN-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
SMILESCOCCN(C(=O)c1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C14H17N3O2/c1-19-7-6-17(11-3-4-11)14(18)10-2-5-12-13(8-10)16-9-15-12/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyNZOOWJQEXHIWIJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds5

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

N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 54876843) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
PubChem CID54876843
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
SMILESCOCCN(C(=O)c1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C14H17N3O2/c1-19-7-6-17(11-3-4-11)14(18)10-2-5-12-13(8-10)16-9-15-12/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyNZOOWJQEXHIWIJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide
CID 79114771
N-cyclopropyl-N-[(4-nitrophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 91646641
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 119530413
2-bromo-4-[cyclopropyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 166289589
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
3-[3-[cyclopropyl(2-methoxyethyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907075
4-amino-N-cyclopropyl-N-(2-methoxyethyl)-3-nitrobenzamide
CID 60812227
methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
CID 60959275
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide (CID 54876843) is N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide is COCCN(C(=O)c1ccc2nc[nH]c2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NZOOWJQEXHIWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-7-6-17(11-3-4-11)14(18)10-2-5-12-13(8-10)16-9-15-12/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?
N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 54876843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).