[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C18H18N4O2 — CID 56879395

IUPAC[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCCC1c1ccccn1
InChIInChI=1S/C18H18N4O2/c23-18(17-7-6-14(24-17)12-21-11-9-19-13-21)22-10-3-5-16(22)15-4-1-2-8-20-15/h1-2,4,6-9,11,13,16H,3,5,10,12H2
InChIKeyAHBPDGWYONELKD-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.90
Rot. Bonds4

About [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 56879395) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID56879395
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCCC1c1ccccn1
InChIInChI=1S/C18H18N4O2/c23-18(17-7-6-14(24-17)12-21-11-9-19-13-21)22-10-3-5-16(22)15-4-1-2-8-20-15/h1-2,4,6-9,11,13,16H,3,5,10,12H2
InChIKeyAHBPDGWYONELKD-UHFFFAOYSA-N
XLogP2.90
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 86285632
(5-ethoxyfuran-2-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 99976176
3-[(3R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]benzoic acid
CID 97207996
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616496
(2-imidazol-1-yl-4-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 51092101
[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70763384
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 118761331
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 155911109
4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-12-phenyl-1,4,8-triazacyclotetradecane-2,9-dione
CID 155914946
4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
CID 56894255
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70746608

Frequently Asked Questions

What is the IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 56879395) is [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCCC1c1ccccn1.
What is the InChIKey of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is AHBPDGWYONELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(17-7-6-14(24-17)12-21-11-9-19-13-21)22-10-3-5-16(22)15-4-1-2-8-20-15/h1-2,4,6-9,11,13,16H,3,5,10,12H2.
What are the key properties of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 56879395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).