phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate

C16H15N3O3 — CID 110400773

IUPACphenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)Oc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-15-18-13-8-4-5-9-14(13)19(15)11-10-17-16(21)22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,21)(H,18,20)
InChIKeyVGRRNHFJCROYGV-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.12
Rot. Bonds4

About phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate

phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate (PubChem CID 110400773) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
PubChem CID110400773
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Namephenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)Oc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-15-18-13-8-4-5-9-14(13)19(15)11-10-17-16(21)22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,21)(H,18,20)
InChIKeyVGRRNHFJCROYGV-UHFFFAOYSA-N
XLogP2.12
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide
CID 110400781
2-(dimethylamino)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110610901
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
CID 110610902
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]urea
CID 110610908
CID 70523740
CID 70523740
3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110400789

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate (CID 110400773) is phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate is O=C(NCCn1c(=O)[nH]c2ccccc21)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate?
The InChIKey is VGRRNHFJCROYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15-18-13-8-4-5-9-14(13)19(15)11-10-17-16(21)22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,21)(H,18,20).
What are the key properties of phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate?
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate has a molecular weight of 297.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 110400773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).