2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

C18H23N3O2 — CID 111430641

IUPAC2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H23N3O2/c22-17(11-18(23)7-1-2-8-18)20-12-15-3-5-16(6-4-15)13-21-10-9-19-14-21/h3-6,9-10,14,23H,1-2,7-8,11-13H2,(H,20,22)
InChIKeyHRQHFDUCIRFYRJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.24
Rot. Bonds6

About 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 111430641) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID111430641
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H23N3O2/c22-17(11-18(23)7-1-2-8-18)20-12-15-3-5-16(6-4-15)13-21-10-9-19-14-21/h3-6,9-10,14,23H,1-2,7-8,11-13H2,(H,20,22)
InChIKeyHRQHFDUCIRFYRJ-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
2-(4-chlorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34906705
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 37425808
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
CID 110008830
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
1-(3-fluorophenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 37423053
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 94029530
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37424854

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (CID 111430641) is 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CC1(O)CCCC1)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is HRQHFDUCIRFYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(11-18(23)7-1-2-8-18)20-12-15-3-5-16(6-4-15)13-21-10-9-19-14-21/h3-6,9-10,14,23H,1-2,7-8,11-13H2,(H,20,22).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 111430641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).