N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide

C19H17N3O2 — CID 167828542

IUPACN-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NCc1ccc(-n2c(=O)[nH]c3ccccc32)cc1)C12CC1C2
InChIInChI=1S/C19H17N3O2/c23-17(19-9-13(19)10-19)20-11-12-5-7-14(8-6-12)22-16-4-2-1-3-15(16)21-18(22)24/h1-8,13H,9-11H2,(H,20,23)(H,21,24)
InChIKeyFFNKPPXBJPVAEV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.35
Rot. Bonds4

About N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide

N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167828542) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167828542
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NCc1ccc(-n2c(=O)[nH]c3ccccc32)cc1)C12CC1C2
InChIInChI=1S/C19H17N3O2/c23-17(19-9-13(19)10-19)20-11-12-5-7-14(8-6-12)22-16-4-2-1-3-15(16)21-18(22)24/h1-8,13H,9-11H2,(H,20,23)(H,21,24)
InChIKeyFFNKPPXBJPVAEV-UHFFFAOYSA-N
XLogP2.35
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide (CID 167828542) is N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide is O=C(NCc1ccc(-n2c(=O)[nH]c3ccccc32)cc1)C12CC1C2.
What is the InChIKey of N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is FFNKPPXBJPVAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17(19-9-13(19)10-19)20-11-12-5-7-14(8-6-12)22-16-4-2-1-3-15(16)21-18(22)24/h1-8,13H,9-11H2,(H,20,23)(H,21,24).
What are the key properties of N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167828542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).