N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide

C17H15N3O2 — CID 118709943

IUPACN-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CC1
InChIInChI=1S/C17H15N3O2/c21-16(11-6-7-11)20-17-18-14-9-8-13(10-15(14)19-17)22-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,18,19,20,21)
InChIKeySCMNAUMKDJTLAD-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.70
Rot. Bonds4

About N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide

N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide (PubChem CID 118709943) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide
PubChem CID118709943
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CC1
InChIInChI=1S/C17H15N3O2/c21-16(11-6-7-11)20-17-18-14-9-8-13(10-15(14)19-17)22-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,18,19,20,21)
InChIKeySCMNAUMKDJTLAD-UHFFFAOYSA-N
XLogP3.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide (CID 118709943) is N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CC1.
What is the InChIKey of N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide?
The InChIKey is SCMNAUMKDJTLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16(11-6-7-11)20-17-18-14-9-8-13(10-15(14)19-17)22-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,18,19,20,21).
What are the key properties of N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide?
N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 118709943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).