N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide

C30H28N4O — CID 22930626

IUPACN,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide
SMILES[H]/N=c1\n(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C30H28N4O/c31-30-33(22-26-16-8-3-9-17-26)27-18-10-11-19-28(27)34(30)23-29(35)32(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25/h1-19,31H,20-23H2/b31-30-
InChIKeyVXIWGQVKISXJFW-KTMFPKCZSA-N
MW460.58 g/mol
LogP5.20
Rot. Bonds8

About N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide

N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide (PubChem CID 22930626) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide
PubChem CID22930626
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC NameN,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide
SMILES[H]/N=c1\n(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C30H28N4O/c31-30-33(22-26-16-8-3-9-17-26)27-18-10-11-19-28(27)34(30)23-29(35)32(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25/h1-19,31H,20-23H2/b31-30-
InChIKeyVXIWGQVKISXJFW-KTMFPKCZSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide (CID 22930626) is N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide is [H]/N=c1\n(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide?
The InChIKey is VXIWGQVKISXJFW-KTMFPKCZSA-N. The full InChI is InChI=1S/C30H28N4O/c31-30-33(22-26-16-8-3-9-17-26)27-18-10-11-19-28(27)34(30)23-29(35)32(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25/h1-19,31H,20-23H2/b31-30-.
What are the key properties of N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide?
N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide has a molecular weight of 460.58 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 22930626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).