2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C19H19N5O5 — CID 139622856

About 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 139622856) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• PubChem CID: 139622856
• Molecular Formula: C19H19N5O5
• Molecular Weight: 397.39 g/mol
• Exact Mass: 397.14
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• SMILES: C=C1[C@H](n2ccc(NC(=O)Cc3nc4ccccc4[nH]3)nc2=O)O[C@H](CO)[C@H]1O
• InChI: InChI=1S/C19H19N5O5/c1-10-17(27)13(9-25)29-18(10)24-7-6-14(23-19(24)28)22-16(26)8-15-20-11-4-2-3-5-12(11)21-15/h2-7,13,17-18,25,27H,1,8-9H2,(H,20,21)(H,22,23,26,28)/t13-,17+,18-/m1/s1
• InChIKey: UDFQZJHNGYGDPV-JEBQAFNWSA-N
• XLogP: 0.11
• TPSA: 142.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.39
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 139622856) is 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is C=C1[C@H](n2ccc(NC(=O)Cc3nc4ccccc4[nH]3)nc2=O)O[C@H](CO)[C@H]1O.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The InChIKey is UDFQZJHNGYGDPV-JEBQAFNWSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-10-17(27)13(9-25)29-18(10)24-7-6-14(23-19(24)28)22-16(26)8-15-20-11-4-2-3-5-12(11)21-15/h2-7,13,17-18,25,27H,1,8-9H2,(H,20,21)(H,22,23,26,28)/t13-,17+,18-/m1/s1.

What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 397.39 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 139622856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).