[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate

C19H15N3O4 — CID 69343119

IUPAC[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(C(O)c4ccoc4)cc3)[nH]c2c1
InChIInChI=1S/C19H15N3O4/c20-19(24)26-14-5-6-15-16(9-14)22-18(21-15)12-3-1-11(2-4-12)17(23)13-7-8-25-10-13/h1-10,17,23H,(H2,20,24)(H,21,22)
InChIKeyUHRAZOBLCGTQRD-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.36
Rot. Bonds4

About [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate

[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69343119) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69343119
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(C(O)c4ccoc4)cc3)[nH]c2c1
InChIInChI=1S/C19H15N3O4/c20-19(24)26-14-5-6-15-16(9-14)22-18(21-15)12-3-1-11(2-4-12)17(23)13-7-8-25-10-13/h1-10,17,23H,(H2,20,24)(H,21,22)
InChIKeyUHRAZOBLCGTQRD-UHFFFAOYSA-N
XLogP3.36
TPSA114.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69342788
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371891
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
[2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343226
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111

Frequently Asked Questions

What is the IUPAC name of [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate (CID 69343119) is [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate is NC(=O)Oc1ccc2nc(-c3ccc(C(O)c4ccoc4)cc3)[nH]c2c1.
What is the InChIKey of [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is UHRAZOBLCGTQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c20-19(24)26-14-5-6-15-16(9-14)22-18(21-15)12-3-1-11(2-4-12)17(23)13-7-8-25-10-13/h1-10,17,23H,(H2,20,24)(H,21,22).
What are the key properties of [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 349.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69343119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).