N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide

C16H19N3O3 — CID 57122404

IUPACN-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide
SMILESCOc1ccc(-c2ncc(NC=O)[nH]2)cc1OC1CCCC1
InChIInChI=1S/C16H19N3O3/c1-21-13-7-6-11(16-17-9-15(19-16)18-10-20)8-14(13)22-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,17,19)(H,18,20)
InChIKeyJJOQQZVMRSOUGB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide

N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide (PubChem CID 57122404) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide
PubChem CID57122404
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide
SMILESCOc1ccc(-c2ncc(NC=O)[nH]2)cc1OC1CCCC1
InChIInChI=1S/C16H19N3O3/c1-21-13-7-6-11(16-17-9-15(19-16)18-10-20)8-14(13)22-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,17,19)(H,18,20)
InChIKeyJJOQQZVMRSOUGB-UHFFFAOYSA-N
XLogP2.97
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide?
The IUPAC name of N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide (CID 57122404) is N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide.
What is the SMILES notation for N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide?
The canonical SMILES for N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide is COc1ccc(-c2ncc(NC=O)[nH]2)cc1OC1CCCC1.
What is the InChIKey of N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide?
The InChIKey is JJOQQZVMRSOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-13-7-6-11(16-17-9-15(19-16)18-10-20)8-14(13)22-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide?
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide has a molecular weight of 301.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide is sourced from PubChem (CID 57122404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).