N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide

C17H16N4O2 — CID 955215

IUPACN-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4O2/c22-16(11-19-17(23)12-6-2-1-3-7-12)18-10-15-20-13-8-4-5-9-14(13)21-15/h1-9H,10-11H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyNLIGGONAQOIPEZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide

N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 955215) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID955215
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4O2/c22-16(11-19-17(23)12-6-2-1-3-7-12)18-10-15-20-13-8-4-5-9-14(13)21-15/h1-9H,10-11H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyNLIGGONAQOIPEZ-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide (CID 955215) is N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is NLIGGONAQOIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(11-19-17(23)12-6-2-1-3-7-12)18-10-15-20-13-8-4-5-9-14(13)21-15/h1-9H,10-11H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide?
N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 955215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).