3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide

C18H24N4O3 — CID 77095907

IUPAC3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C18H24N4O3/c23-17(19-14-11-25-12-16(14)21-8-3-4-9-21)7-10-22-15-6-2-1-5-13(15)20-18(22)24/h1-2,5-6,14,16H,3-4,7-12H2,(H,19,23)(H,20,24)/t14-,16-/m0/s1
InChIKeyDLKPBPUMWJCYMX-HOCLYGCPSA-N
MW344.42 g/mol
LogP0.70
Rot. Bonds5

About 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide

3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide (PubChem CID 77095907) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide
PubChem CID77095907
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C18H24N4O3/c23-17(19-14-11-25-12-16(14)21-8-3-4-9-21)7-10-22-15-6-2-1-5-13(15)20-18(22)24/h1-2,5-6,14,16H,3-4,7-12H2,(H,19,23)(H,20,24)/t14-,16-/m0/s1
InChIKeyDLKPBPUMWJCYMX-HOCLYGCPSA-N
XLogP0.70
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide?
The IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide (CID 77095907) is 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide?
The canonical SMILES for 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide is O=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide?
The InChIKey is DLKPBPUMWJCYMX-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17(19-14-11-25-12-16(14)21-8-3-4-9-21)7-10-22-15-6-2-1-5-13(15)20-18(22)24/h1-2,5-6,14,16H,3-4,7-12H2,(H,19,23)(H,20,24)/t14-,16-/m0/s1.
What are the key properties of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide?
3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide is sourced from PubChem (CID 77095907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).