N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide

C16H20ClN3O2 — CID 67651567

IUPACN-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide
SMILESCC(=O)NCC(CCCn1ccnc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-13(21)19-11-16(3-2-9-20-10-8-18-12-20)22-15-6-4-14(17)5-7-15/h4-8,10,12,16H,2-3,9,11H2,1H3,(H,19,21)
InChIKeyIBIOAUAPKWTPCR-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide

N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide (PubChem CID 67651567) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide
PubChem CID67651567
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide
SMILESCC(=O)NCC(CCCn1ccnc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-13(21)19-11-16(3-2-9-20-10-8-18-12-20)22-15-6-4-14(17)5-7-15/h4-8,10,12,16H,2-3,9,11H2,1H3,(H,19,21)
InChIKeyIBIOAUAPKWTPCR-UHFFFAOYSA-N
XLogP2.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[2-(4-chlorophenoxy)ethylamino]-5-imidazol-1-ylpentan-1-ol;dihydrochloride
CID 70213779
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
2-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-imidazol-1-ylhexan-2-yl]phenoxy]acetic acid
CID 139688587
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(3-imidazol-1-ylpropyl)thiourea
CID 73351094
5-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(4-propan-2-yloxybenzoyl)pyrrolidine-2,3-dione
CID 4572271
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
CID 70473677
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-imidazol-1-ylpentan-2-yl]phenyl]prop-2-enoic acid
CID 139688595

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide (CID 67651567) is N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide is CC(=O)NCC(CCCn1ccnc1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide?
The InChIKey is IBIOAUAPKWTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-13(21)19-11-16(3-2-9-20-10-8-18-12-20)22-15-6-4-14(17)5-7-15/h4-8,10,12,16H,2-3,9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide?
N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide has a molecular weight of 321.81 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide is sourced from PubChem (CID 67651567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).