N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C19H17N5O3 — CID 18135800

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C19H17N5O3/c25-17-10-21-19(27)24(17)11-12-5-1-2-6-13(12)18(26)20-9-16-22-14-7-3-4-8-15(14)23-16/h1-8H,9-11H2,(H,20,26)(H,21,27)(H,22,23)
InChIKeyLYCXTRBDXUCYTR-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.54
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 18135800) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID18135800
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C19H17N5O3/c25-17-10-21-19(27)24(17)11-12-5-1-2-6-13(12)18(26)20-9-16-22-14-7-3-4-8-15(14)23-16/h1-8H,9-11H2,(H,20,26)(H,21,27)(H,22,23)
InChIKeyLYCXTRBDXUCYTR-UHFFFAOYSA-N
XLogP1.54
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 18135800) is N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccccc1CN1C(=O)CNC1=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is LYCXTRBDXUCYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c25-17-10-21-19(27)24(17)11-12-5-1-2-6-13(12)18(26)20-9-16-22-14-7-3-4-8-15(14)23-16/h1-8H,9-11H2,(H,20,26)(H,21,27)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 363.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 18135800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).