[4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid

C20H23N3O3 — CID 69318356

IUPAC[4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCn1c(=O)n(Cc2ccccc2)c2ccccc21)NC(=O)O
InChIInChI=1S/C20H23N3O3/c1-20(2,21-18(24)25)12-13-22-16-10-6-7-11-17(16)23(19(22)26)14-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3,(H,24,25)
InChIKeyPKBSZYSQKLVEPE-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.29
Rot. Bonds6

About [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid

[4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid (PubChem CID 69318356) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid
PubChem CID69318356
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCn1c(=O)n(Cc2ccccc2)c2ccccc21)NC(=O)O
InChIInChI=1S/C20H23N3O3/c1-20(2,21-18(24)25)12-13-22-16-10-6-7-11-17(16)23(19(22)26)14-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3,(H,24,25)
InChIKeyPKBSZYSQKLVEPE-UHFFFAOYSA-N
XLogP3.29
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid (CID 69318356) is [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid is CC(C)(CCn1c(=O)n(Cc2ccccc2)c2ccccc21)NC(=O)O.
What is the InChIKey of [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid?
The InChIKey is PKBSZYSQKLVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(2,21-18(24)25)12-13-22-16-10-6-7-11-17(16)23(19(22)26)14-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3,(H,24,25).
What are the key properties of [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid?
[4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid has a molecular weight of 353.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-benzyl-2-oxobenzimidazol-1-yl)-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 69318356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).