N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide

C25H25N5O2 — CID 53376045

IUPACN-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
SMILES[H]N=c1n(CC(=O)NCc2ccccc2)c2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C25H25N5O2/c26-25-29(17-23(31)27-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)30(25)18-24(32)28-16-20-11-5-2-6-12-20/h1-14,26H,15-18H2,(H,27,31)(H,28,32)
InChIKeyZYWDUYBUMVQBRZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.56
Rot. Bonds8

About N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide

N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide (PubChem CID 53376045) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
PubChem CID53376045
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
SMILES[H]N=c1n(CC(=O)NCc2ccccc2)c2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C25H25N5O2/c26-25-29(17-23(31)27-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)30(25)18-24(32)28-16-20-11-5-2-6-12-20/h1-14,26H,15-18H2,(H,27,31)(H,28,32)
InChIKeyZYWDUYBUMVQBRZ-UHFFFAOYSA-N
XLogP2.56
TPSA91.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide (CID 53376045) is N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide is [H]N=c1n(CC(=O)NCc2ccccc2)c2ccccc2n1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide?
The InChIKey is ZYWDUYBUMVQBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-25-29(17-23(31)27-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)30(25)18-24(32)28-16-20-11-5-2-6-12-20/h1-14,26H,15-18H2,(H,27,31)(H,28,32).
What are the key properties of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide?
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide has a molecular weight of 427.51 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 53376045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).