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

C25H19N3O3 — CID 69346240

IUPAC[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H19N3O3/c26-25(30)31-20-11-12-21-22(14-20)28-24(27-21)17-8-6-16(7-9-17)23(29)19-10-5-15-3-1-2-4-18(15)13-19/h1-14,23,29H,(H2,26,30)(H,27,28)
InChIKeyGYMDSSDRAAOKBI-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.92
Rot. Bonds4

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

[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69346240) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69346240
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H19N3O3/c26-25(30)31-20-11-12-21-22(14-20)28-24(27-21)17-8-6-16(7-9-17)23(29)19-10-5-15-3-1-2-4-18(15)13-19/h1-14,23,29H,(H2,26,30)(H,27,28)
InChIKeyGYMDSSDRAAOKBI-UHFFFAOYSA-N
XLogP4.92
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343119
[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69342788
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
[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-(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

Frequently Asked Questions

What is the IUPAC name of [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate (CID 69346240) is [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate is NC(=O)Oc1ccc2nc(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)[nH]c2c1.
What is the InChIKey of [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is GYMDSSDRAAOKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c26-25(30)31-20-11-12-21-22(14-20)28-24(27-21)17-8-6-16(7-9-17)23(29)19-10-5-15-3-1-2-4-18(15)13-19/h1-14,23,29H,(H2,26,30)(H,27,28).
What are the key properties of [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 409.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69346240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).