[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate

C19H14N4O2 — CID 69373002

IUPAC[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(-c4ccccn4)cc3)[nH]c2c1
InChIInChI=1S/C19H14N4O2/c20-19(24)25-14-8-9-16-17(11-14)23-18(22-16)13-6-4-12(5-7-13)15-3-1-2-10-21-15/h1-11H,(H2,20,24)(H,22,23)
InChIKeySVTWKHBTJUTDPD-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.75
Rot. Bonds3

About [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate

[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate (PubChem CID 69373002) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
PubChem CID69373002
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(-c4ccccn4)cc3)[nH]c2c1
InChIInChI=1S/C19H14N4O2/c20-19(24)25-14-8-9-16-17(11-14)23-18(22-16)13-6-4-12(5-7-13)15-3-1-2-10-21-15/h1-11H,(H2,20,24)(H,22,23)
InChIKeySVTWKHBTJUTDPD-UHFFFAOYSA-N
XLogP3.75
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
[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-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-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69342788
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343119
(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
CID 86766119
[2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343226
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375

Frequently Asked Questions

What is the IUPAC name of [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate (CID 69373002) is [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate is NC(=O)Oc1ccc2nc(-c3ccc(-c4ccccn4)cc3)[nH]c2c1.
What is the InChIKey of [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate?
The InChIKey is SVTWKHBTJUTDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-19(24)25-14-8-9-16-17(11-14)23-18(22-16)13-6-4-12(5-7-13)15-3-1-2-10-21-15/h1-11H,(H2,20,24)(H,22,23).
What are the key properties of [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate?
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate has a molecular weight of 330.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69373002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).