[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate

C19H17N5O2 — CID 69343445

IUPAC[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCC(c1ccc(-c2nc3ccc(OC(N)=O)cc3[nH]2)cc1)c1ncc[nH]1
InChIInChI=1S/C19H17N5O2/c1-11(17-21-8-9-22-17)12-2-4-13(5-3-12)18-23-15-7-6-14(26-19(20)25)10-16(15)24-18/h2-11H,1H3,(H2,20,25)(H,21,22)(H,23,24)
InChIKeyBLGUHZZJADZJDD-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.56
Rot. Bonds4

About [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate

[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69343445) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69343445
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCC(c1ccc(-c2nc3ccc(OC(N)=O)cc3[nH]2)cc1)c1ncc[nH]1
InChIInChI=1S/C19H17N5O2/c1-11(17-21-8-9-22-17)12-2-4-13(5-3-12)18-23-15-7-6-14(26-19(20)25)10-16(15)24-18/h2-11H,1H3,(H2,20,25)(H,21,22)(H,23,24)
InChIKeyBLGUHZZJADZJDD-UHFFFAOYSA-N
XLogP3.56
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343119
[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371891
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 67073190
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
[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-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate (CID 69343445) is [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate is CC(c1ccc(-c2nc3ccc(OC(N)=O)cc3[nH]2)cc1)c1ncc[nH]1.
What is the InChIKey of [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is BLGUHZZJADZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11(17-21-8-9-22-17)12-2-4-13(5-3-12)18-23-15-7-6-14(26-19(20)25)10-16(15)24-18/h2-11H,1H3,(H2,20,25)(H,21,22)(H,23,24).
What are the key properties of [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 347.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69343445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).