2-butyl-3H-benzimidazol-5-amine

C11H15N3 — CID 23301932

IUPAC2-butyl-3H-benzimidazol-5-amine
SMILESCCCCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H15N3/c1-2-3-4-11-13-9-6-5-8(12)7-10(9)14-11/h5-7H,2-4,12H2,1H3,(H,13,14)
InChIKeyQWQYWLVNKZCGIM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.49
Rot. Bonds3

About 2-butyl-3H-benzimidazol-5-amine

2-butyl-3H-benzimidazol-5-amine (PubChem CID 23301932) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-butyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-butyl-3H-benzimidazol-5-amine
PubChem CID23301932
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-butyl-3H-benzimidazol-5-amine
SMILESCCCCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H15N3/c1-2-3-4-11-13-9-6-5-8(12)7-10(9)14-11/h5-7H,2-4,12H2,1H3,(H,13,14)
InChIKeyQWQYWLVNKZCGIM-UHFFFAOYSA-N
XLogP2.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-butyl-3H-benzimidazol-5-amine (CID 23301932) is 2-butyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-butyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-butyl-3H-benzimidazol-5-amine is CCCCc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-butyl-3H-benzimidazol-5-amine?
The InChIKey is QWQYWLVNKZCGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-4-11-13-9-6-5-8(12)7-10(9)14-11/h5-7H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 2-butyl-3H-benzimidazol-5-amine?
2-butyl-3H-benzimidazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 23301932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).