N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide

C13H15N3O2 — CID 81448599

IUPACN-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N3O2/c1-8-6-7-18-11(8)12(17)16-13-14-9-4-2-3-5-10(9)15-13/h2-5,8,11H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyCXHYZWXPNVDCEY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.93
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide

N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide (PubChem CID 81448599) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
PubChem CID81448599
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N3O2/c1-8-6-7-18-11(8)12(17)16-13-14-9-4-2-3-5-10(9)15-13/h2-5,8,11H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyCXHYZWXPNVDCEY-UHFFFAOYSA-N
XLogP1.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-indazol-3-yl)-3-methyloxolane-2-carboxamide
CID 81450034
(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001507
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 90336064
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76999436
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide (CID 81448599) is N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide?
The InChIKey is CXHYZWXPNVDCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-7-18-11(8)12(17)16-13-14-9-4-2-3-5-10(9)15-13/h2-5,8,11H,6-7H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide?
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 81448599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).