4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride

C11H17Cl2N3O — CID 45156250

IUPAC4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
SMILESCC(O)CCc1nc2ccc(N)cc2[nH]1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-7(15)2-5-11-13-9-4-3-8(12)6-10(9)14-11;;/h3-4,6-7,15H,2,5,12H2,1H3,(H,13,14);2*1H
InChIKeyMHMWIKFJJIDMIU-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.30
Rot. Bonds3

About 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride

4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride (PubChem CID 45156250) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride.

Molecular Properties

Compound Name4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
PubChem CID45156250
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
SMILESCC(O)CCc1nc2ccc(N)cc2[nH]1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-7(15)2-5-11-13-9-4-3-8(12)6-10(9)14-11;;/h3-4,6-7,15H,2,5,12H2,1H3,(H,13,14);2*1H
InChIKeyMHMWIKFJJIDMIU-UHFFFAOYSA-N
XLogP2.30
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxybutyl)-3H-benzimidazol-5-yl]formamide
CID 168652422
2-[(3R)-3-hydroxybutyl]-3H-benzimidazole-5-carboxylate
CID 6937344
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
2-butyl-3H-benzimidazol-5-amine
CID 23301932
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-[2-(3-methylbutylsulfonyl)ethyl]-3H-benzimidazol-5-amine
CID 107751734
4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
CID 79200737
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride?
The IUPAC name of 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride (CID 45156250) is 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride.
What is the SMILES notation for 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride?
The canonical SMILES for 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride is CC(O)CCc1nc2ccc(N)cc2[nH]1.Cl.Cl.
What is the InChIKey of 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride?
The InChIKey is MHMWIKFJJIDMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c1-7(15)2-5-11-13-9-4-3-8(12)6-10(9)14-11;;/h3-4,6-7,15H,2,5,12H2,1H3,(H,13,14);2*1H.
What are the key properties of 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride?
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride is sourced from PubChem (CID 45156250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).