2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate

C13H16N4O2 — CID 83215207

IUPAC2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C13H16N4O2/c14-9-3-4-11-10(7-9)16-12(8-1-2-8)17(11)5-6-19-13(15)18/h3-4,7-8H,1-2,5-6,14H2,(H2,15,18)
InChIKeyGCTWSNXIGFLBHM-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.59
Rot. Bonds4

About 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate

2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate (PubChem CID 83215207) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
PubChem CID83215207
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C13H16N4O2/c14-9-3-4-11-10(7-9)16-12(8-1-2-8)17(11)5-6-19-13(15)18/h3-4,7-8H,1-2,5-6,14H2,(H2,15,18)
InChIKeyGCTWSNXIGFLBHM-UHFFFAOYSA-N
XLogP1.59
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate?
The IUPAC name of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate (CID 83215207) is 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate?
The canonical SMILES for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate is NC(=O)OCCn1c(C2CC2)nc2cc(N)ccc21.
What is the InChIKey of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate?
The InChIKey is GCTWSNXIGFLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-9-3-4-11-10(7-9)16-12(8-1-2-8)17(11)5-6-19-13(15)18/h3-4,7-8H,1-2,5-6,14H2,(H2,15,18).
What are the key properties of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate?
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate has a molecular weight of 260.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate is sourced from PubChem (CID 83215207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).