2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol

C11H13N3O — CID 81432300

IUPAC2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol
SMILESNC(c1nc2ccc(O)cc2[nH]1)C1CC1
InChIInChI=1S/C11H13N3O/c12-10(6-1-2-6)11-13-8-4-3-7(15)5-9(8)14-11/h3-6,10,15H,1-2,12H2,(H,13,14)
InChIKeyWDEJQQCXDREBJM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.68
Rot. Bonds2

About 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol

2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol (PubChem CID 81432300) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol
PubChem CID81432300
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol
SMILESNC(c1nc2ccc(O)cc2[nH]1)C1CC1
InChIInChI=1S/C11H13N3O/c12-10(6-1-2-6)11-13-8-4-3-7(15)5-9(8)14-11/h3-6,10,15H,1-2,12H2,(H,13,14)
InChIKeyWDEJQQCXDREBJM-UHFFFAOYSA-N
XLogP1.68
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol (CID 81432300) is 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol is NC(c1nc2ccc(O)cc2[nH]1)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol?
The InChIKey is WDEJQQCXDREBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10(6-1-2-6)11-13-8-4-3-7(15)5-9(8)14-11/h3-6,10,15H,1-2,12H2,(H,13,14).
What are the key properties of 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol?
2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol has a molecular weight of 203.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).