(2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide

C14H17N3O3 — CID 125137457

IUPAC(2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
SMILESC[C@]1(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CCCO1
InChIInChI=1S/C14H17N3O3/c1-14(5-2-6-20-14)12(18)15-8-9-3-4-10-11(7-9)17-13(19)16-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,18)(H2,16,17,19)/t14-/m1/s1
InChIKeyMRAMAFXCGZCBFX-CQSZACIVSA-N
MW275.31 g/mol
LogP1.04
Rot. Bonds3

About (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide

(2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide (PubChem CID 125137457) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
PubChem CID125137457
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
SMILESC[C@]1(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CCCO1
InChIInChI=1S/C14H17N3O3/c1-14(5-2-6-20-14)12(18)15-8-9-3-4-10-11(7-9)17-13(19)16-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,18)(H2,16,17,19)/t14-/m1/s1
InChIKeyMRAMAFXCGZCBFX-CQSZACIVSA-N
XLogP1.04
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide
CID 45184113
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide
CID 166238501
2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318107
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide
CID 119068809
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
2-methyl-N-[[8-[[5-[[(2-methyloxolane-2-carbonyl)amino]methyl]quinolin-8-yl]disulfanyl]quinolin-5-yl]methyl]oxolane-2-carboxamide
CID 90111109

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide (CID 125137457) is (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide is C[C@]1(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CCCO1.
What is the InChIKey of (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
The InChIKey is MRAMAFXCGZCBFX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(5-2-6-20-14)12(18)15-8-9-3-4-10-11(7-9)17-13(19)16-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,18)(H2,16,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
(2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 125137457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).