N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide

C18H24N4O — CID 126773827

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(12-16-6-8-19-13-16)21-9-7-17-20-10-11-22(17)14-15-4-2-1-3-5-15/h1-5,10-11,16,19H,6-9,12-14H2,(H,21,23)
InChIKeyULYHKRSKGNYYTQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.59
Rot. Bonds7

About N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide (PubChem CID 126773827) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
PubChem CID126773827
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(12-16-6-8-19-13-16)21-9-7-17-20-10-11-22(17)14-15-4-2-1-3-5-15/h1-5,10-11,16,19H,6-9,12-14H2,(H,21,23)
InChIKeyULYHKRSKGNYYTQ-UHFFFAOYSA-N
XLogP1.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 42951665
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dimethylpiperidine-1-carboxamide
CID 75468026
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80563001
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 134039594

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide (CID 126773827) is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is ULYHKRSKGNYYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(12-16-6-8-19-13-16)21-9-7-17-20-10-11-22(17)14-15-4-2-1-3-5-15/h1-5,10-11,16,19H,6-9,12-14H2,(H,21,23).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 312.42 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 126773827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).