N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide

C15H17N3O — CID 110668538

IUPACN-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1cccc(-c2cnc[nH]2)c1)C1CCCC1
InChIInChI=1S/C15H17N3O/c19-15(11-4-1-2-5-11)18-13-7-3-6-12(8-13)14-9-16-10-17-14/h3,6-11H,1-2,4-5H2,(H,16,17)(H,18,19)
InChIKeyRHXRDOBEDAEGIW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.21
Rot. Bonds3

About N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide

N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide (PubChem CID 110668538) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
PubChem CID110668538
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1cccc(-c2cnc[nH]2)c1)C1CCCC1
InChIInChI=1S/C15H17N3O/c19-15(11-4-1-2-5-11)18-13-7-3-6-12(8-13)14-9-16-10-17-14/h3,6-11H,1-2,4-5H2,(H,16,17)(H,18,19)
InChIKeyRHXRDOBEDAEGIW-UHFFFAOYSA-N
XLogP3.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide (CID 110668538) is N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide is O=C(Nc1cccc(-c2cnc[nH]2)c1)C1CCCC1.
What is the InChIKey of N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is RHXRDOBEDAEGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(11-4-1-2-5-11)18-13-7-3-6-12(8-13)14-9-16-10-17-14/h3,6-11H,1-2,4-5H2,(H,16,17)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide?
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 255.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 110668538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).