N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide

C19H19N3O — CID 47018726

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)C1CCC1
InChIInChI=1S/C19H19N3O/c23-19(14-7-4-8-14)22-18(13-5-2-1-3-6-13)15-9-10-16-17(11-15)21-12-20-16/h1-3,5-6,9-12,14,18H,4,7-8H2,(H,20,21)(H,22,23)
InChIKeyHKMWAMSBDSFANF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.57
Rot. Bonds4

About N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide (PubChem CID 47018726) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
PubChem CID47018726
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)C1CCC1
InChIInChI=1S/C19H19N3O/c23-19(14-7-4-8-14)22-18(13-5-2-1-3-6-13)15-9-10-16-17(11-15)21-12-20-16/h1-3,5-6,9-12,14,18H,4,7-8H2,(H,20,21)(H,22,23)
InChIKeyHKMWAMSBDSFANF-UHFFFAOYSA-N
XLogP3.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide (CID 47018726) is N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide is O=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)C1CCC1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide?
The InChIKey is HKMWAMSBDSFANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(14-7-4-8-14)22-18(13-5-2-1-3-6-13)15-9-10-16-17(11-15)21-12-20-16/h1-3,5-6,9-12,14,18H,4,7-8H2,(H,20,21)(H,22,23).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 47018726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).