4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide

C20H24N4O2 — CID 91839331

IUPAC4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)c1oc(C(N)=O)cc1CN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)17-12(8-16(26-17)18(21)25)9-24-10-13(11-24)19-22-14-6-4-5-7-15(14)23-19/h4-8,13H,9-11H2,1-3H3,(H2,21,25)(H,22,23)
InChIKeyNPMXYGHBCMMIGZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.15
Rot. Bonds4

About 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide

4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide (PubChem CID 91839331) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide.

Molecular Properties

Compound Name4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide
PubChem CID91839331
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)c1oc(C(N)=O)cc1CN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)17-12(8-16(26-17)18(21)25)9-24-10-13(11-24)19-22-14-6-4-5-7-15(14)23-19/h4-8,13H,9-11H2,1-3H3,(H2,21,25)(H,22,23)
InChIKeyNPMXYGHBCMMIGZ-UHFFFAOYSA-N
XLogP3.15
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505895
2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 77091645
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
3-[4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 77083335
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]ethanone
CID 77097499
N-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 166217161
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 90505795

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide?
The IUPAC name of 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide (CID 91839331) is 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide.
What is the SMILES notation for 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide?
The canonical SMILES for 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide is CC(C)(C)c1oc(C(N)=O)cc1CN1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide?
The InChIKey is NPMXYGHBCMMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)17-12(8-16(26-17)18(21)25)9-24-10-13(11-24)19-22-14-6-4-5-7-15(14)23-19/h4-8,13H,9-11H2,1-3H3,(H2,21,25)(H,22,23).
What are the key properties of 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide?
4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide is sourced from PubChem (CID 91839331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).