N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide

C32H32N4O — CID 139536046

IUPACN-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1C(CNC(=O)c1ccccc1)Cc1ccc(C)cc1
InChIInChI=1S/C32H32N4O/c1-23-12-16-25(17-13-23)20-28(21-34-31(37)27-8-4-3-5-9-27)36-30-11-7-6-10-29(30)35(32(36)33)22-26-18-14-24(2)15-19-26/h3-19,28,33H,20-22H2,1-2H3,(H,34,37)/b33-32-
InChIKeyRUNGRPLELDGZQJ-KARKAFJISA-N
MW488.64 g/mol
LogP5.80
Rot. Bonds8

About N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide

N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide (PubChem CID 139536046) has the molecular formula C32H32N4O and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide
PubChem CID139536046
Molecular FormulaC32H32N4O
Molecular Weight488.64 g/mol
Exact Mass488.26
IUPAC NameN-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1C(CNC(=O)c1ccccc1)Cc1ccc(C)cc1
InChIInChI=1S/C32H32N4O/c1-23-12-16-25(17-13-23)20-28(21-34-31(37)27-8-4-3-5-9-27)36-30-11-7-6-10-29(30)35(32(36)33)22-26-18-14-24(2)15-19-26/h3-19,28,33H,20-22H2,1-2H3,(H,34,37)/b33-32-
InChIKeyRUNGRPLELDGZQJ-KARKAFJISA-N
XLogP5.80
TPSA62.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide?
The IUPAC name of N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide (CID 139536046) is N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide is [H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1C(CNC(=O)c1ccccc1)Cc1ccc(C)cc1.
What is the InChIKey of N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide?
The InChIKey is RUNGRPLELDGZQJ-KARKAFJISA-N. The full InChI is InChI=1S/C32H32N4O/c1-23-12-16-25(17-13-23)20-28(21-34-31(37)27-8-4-3-5-9-27)36-30-11-7-6-10-29(30)35(32(36)33)22-26-18-14-24(2)15-19-26/h3-19,28,33H,20-22H2,1-2H3,(H,34,37)/b33-32-.
What are the key properties of N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide?
N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide has a molecular weight of 488.64 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 139536046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).