1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride

C15H22ClN3O2 — CID 137408514

IUPAC1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)COc1ccc2nc(N)n(CC3CC3)c2c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,19)9-20-11-5-6-12-13(7-11)18(14(16)17-12)8-10-3-4-10;/h5-7,10,19H,3-4,8-9H2,1-2H3,(H2,16,17);1H
InChIKeyBLPGONPEKPUHGA-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.60
Rot. Bonds5

About 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride

1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride (PubChem CID 137408514) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride
PubChem CID137408514
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)COc1ccc2nc(N)n(CC3CC3)c2c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,19)9-20-11-5-6-12-13(7-11)18(14(16)17-12)8-10-3-4-10;/h5-7,10,19H,3-4,8-9H2,1-2H3,(H2,16,17);1H
InChIKeyBLPGONPEKPUHGA-UHFFFAOYSA-N
XLogP2.60
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride (CID 137408514) is 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride is CC(C)(O)COc1ccc2nc(N)n(CC3CC3)c2c1.Cl.
What is the InChIKey of 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride?
The InChIKey is BLPGONPEKPUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-15(2,19)9-20-11-5-6-12-13(7-11)18(14(16)17-12)8-10-3-4-10;/h5-7,10,19H,3-4,8-9H2,1-2H3,(H2,16,17);1H.
What are the key properties of 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride?
1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(cyclopropylmethyl)benzimidazol-5-yl]oxy-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 137408514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).