N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide

C14H17N3O2 — CID 61433534

IUPACN-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O2/c1-17(8-11-3-2-6-19-11)14(18)10-4-5-12-13(7-10)16-9-15-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyCIKVLXGJFCTXPI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide

N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 61433534) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID61433534
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O2/c1-17(8-11-3-2-6-19-11)14(18)10-4-5-12-13(7-10)16-9-15-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyCIKVLXGJFCTXPI-UHFFFAOYSA-N
XLogP1.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 61433534) is N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide is CN(CC1CCCO1)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is CIKVLXGJFCTXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(8-11-3-2-6-19-11)14(18)10-4-5-12-13(7-10)16-9-15-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 61433534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).