2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol

C14H19N3O3 — CID 107849672

IUPAC2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ccc2c(c1)nc(C1CC1)n2C(CO)(CO)CO
InChIInChI=1S/C14H19N3O3/c15-10-3-4-12-11(5-10)16-13(9-1-2-9)17(12)14(6-18,7-19)8-20/h3-5,9,18-20H,1-2,6-8,15H2
InChIKeyNHJUSVRWQZLWFA-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.17
Rot. Bonds5

About 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol

2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107849672) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107849672
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ccc2c(c1)nc(C1CC1)n2C(CO)(CO)CO
InChIInChI=1S/C14H19N3O3/c15-10-3-4-12-11(5-10)16-13(9-1-2-9)17(12)14(6-18,7-19)8-20/h3-5,9,18-20H,1-2,6-8,15H2
InChIKeyNHJUSVRWQZLWFA-UHFFFAOYSA-N
XLogP0.17
TPSA104.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol (CID 107849672) is 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol is Nc1ccc2c(c1)nc(C1CC1)n2C(CO)(CO)CO.
What is the InChIKey of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is NHJUSVRWQZLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-10-3-4-12-11(5-10)16-13(9-1-2-9)17(12)14(6-18,7-19)8-20/h3-5,9,18-20H,1-2,6-8,15H2.
What are the key properties of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol?
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 277.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107849672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).