N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide

C14H17N3O3 — CID 118795023

IUPACN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
SMILESCOc1ccc2nc(CNC(=O)C3CCOC3)[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-19-10-2-3-11-12(6-10)17-13(16-11)7-15-14(18)9-4-5-20-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRHXAYQZFKPECFT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.22
Rot. Bonds4

About N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 118795023) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
PubChem CID118795023
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
SMILESCOc1ccc2nc(CNC(=O)C3CCOC3)[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-19-10-2-3-11-12(6-10)17-13(16-11)7-15-14(18)9-4-5-20-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRHXAYQZFKPECFT-UHFFFAOYSA-N
XLogP1.22
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 118782033
(3R,6S)-6-amino-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)azepane-3-carboxamide;dihydrochloride
CID 166598145
(3S)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95193019
(3S)-1-(cyclohexylmethyl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098252
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
(3S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 95062342
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(oxolan-3-ylmethyl)ethanamine
CID 62585239
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131915305
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide (CID 118795023) is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide is COc1ccc2nc(CNC(=O)C3CCOC3)[nH]c2c1.
What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is RHXAYQZFKPECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-10-2-3-11-12(6-10)17-13(16-11)7-15-14(18)9-4-5-20-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide?
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 118795023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).