N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide

C23H24N4O4 — CID 155881053

IUPACN-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide
SMILESCOC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3ccc(Cn4ccnc4)o3)C2)CC1
InChIInChI=1S/C23H24N4O4/c1-30-23(9-10-23)22(25-20(28)17-5-3-2-4-6-17)14-27(15-22)21(29)19-8-7-18(31-19)13-26-12-11-24-16-26/h2-8,11-12,16H,9-10,13-15H2,1H3,(H,25,28)
InChIKeyPRIWWZVTMBOISQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.33
Rot. Bonds7

About N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide

N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide (PubChem CID 155881053) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide
PubChem CID155881053
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide
SMILESCOC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3ccc(Cn4ccnc4)o3)C2)CC1
InChIInChI=1S/C23H24N4O4/c1-30-23(9-10-23)22(25-20(28)17-5-3-2-4-6-17)14-27(15-22)21(29)19-8-7-18(31-19)13-26-12-11-24-16-26/h2-8,11-12,16H,9-10,13-15H2,1H3,(H,25,28)
InChIKeyPRIWWZVTMBOISQ-UHFFFAOYSA-N
XLogP2.33
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide
CID 86777635
N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide
CID 155880578
[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 56743421
4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
CID 56894255
methyl (1S,2S,3S,4S)-3-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98515091
methyl (1S,2R,3R,4S)-3-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 129432761
3-[(3R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]benzoic acid
CID 97207996
[(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
3-[(3S,4R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72913156
N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
CID 110008830
1-[10-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]ethanone
CID 133068622
[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 N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide?
The IUPAC name of N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide (CID 155881053) is N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide.
What is the SMILES notation for N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide?
The canonical SMILES for N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide is COC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3ccc(Cn4ccnc4)o3)C2)CC1.
What is the InChIKey of N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide?
The InChIKey is PRIWWZVTMBOISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-23(9-10-23)22(25-20(28)17-5-3-2-4-6-17)14-27(15-22)21(29)19-8-7-18(31-19)13-26-12-11-24-16-26/h2-8,11-12,16H,9-10,13-15H2,1H3,(H,25,28).
What are the key properties of N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide?
N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide is sourced from PubChem (CID 155881053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).