2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol

C14H19N3O — CID 114202899

IUPAC2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1nc2ccc(N)cc2n1C1CC1
InChIInChI=1S/C14H19N3O/c1-14(2,8-18)13-16-11-6-3-9(15)7-12(11)17(13)10-4-5-10/h3,6-7,10,18H,4-5,8,15H2,1-2H3
InChIKeyPKXQOTQGHJEUAP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds3

About 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol

2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol (PubChem CID 114202899) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol
PubChem CID114202899
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1nc2ccc(N)cc2n1C1CC1
InChIInChI=1S/C14H19N3O/c1-14(2,8-18)13-16-11-6-3-9(15)7-12(11)17(13)10-4-5-10/h3,6-7,10,18H,4-5,8,15H2,1-2H3
InChIKeyPKXQOTQGHJEUAP-UHFFFAOYSA-N
XLogP2.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol (CID 114202899) is 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol is CC(C)(CO)c1nc2ccc(N)cc2n1C1CC1.
What is the InChIKey of 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol?
The InChIKey is PKXQOTQGHJEUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,8-18)13-16-11-6-3-9(15)7-12(11)17(13)10-4-5-10/h3,6-7,10,18H,4-5,8,15H2,1-2H3.
What are the key properties of 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol?
2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 114202899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).