N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide

C17H21N3O2 — CID 110008830

IUPACN-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H21N3O2/c21-12-17(7-1-2-8-17)19-16(22)15-5-3-14(4-6-15)11-20-10-9-18-13-20/h3-6,9-10,13,21H,1-2,7-8,11-12H2,(H,19,22)
InChIKeyNKLPSXJSNRHNGC-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.97
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide

N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 110008830) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID110008830
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H21N3O2/c21-12-17(7-1-2-8-17)19-16(22)15-5-3-14(4-6-15)11-20-10-9-18-13-20/h3-6,9-10,13,21H,1-2,7-8,11-12H2,(H,19,22)
InChIKeyNKLPSXJSNRHNGC-UHFFFAOYSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide (CID 110008830) is N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide is O=C(NC1(CO)CCCC1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is NKLPSXJSNRHNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-12-17(7-1-2-8-17)19-16(22)15-5-3-14(4-6-15)11-20-10-9-18-13-20/h3-6,9-10,13,21H,1-2,7-8,11-12H2,(H,19,22).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 110008830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).