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

C15H19N3O2 — CID 81449437

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
SMILESCC(NC(=O)C1OCCC1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-9-7-8-20-13(9)15(19)16-10(2)14-17-11-5-3-4-6-12(11)18-14/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMDBBAAPGNMWNPH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds3

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide (PubChem CID 81449437) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
PubChem CID81449437
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
SMILESCC(NC(=O)C1OCCC1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-9-7-8-20-13(9)15(19)16-10(2)14-17-11-5-3-4-6-12(11)18-14/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMDBBAAPGNMWNPH-UHFFFAOYSA-N
XLogP2.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128839198
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
CID 124620774
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 84594730
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331095

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide (CID 81449437) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide is CC(NC(=O)C1OCCC1C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
The InChIKey is MDBBAAPGNMWNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-7-8-20-13(9)15(19)16-10(2)14-17-11-5-3-4-6-12(11)18-14/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 81449437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).