2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine

C13H19N3 — CID 51970586

IUPAC2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
SMILESCC[C@@H](C)n1c(CCN)nc2ccccc21
InChIInChI=1S/C13H19N3/c1-3-10(2)16-12-7-5-4-6-11(12)15-13(16)8-9-14/h4-7,10H,3,8-9,14H2,1-2H3/t10-/m1/s1
InChIKeyFIUVVTJSFIGXHO-SNVBAGLBSA-N
MW217.32 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine

2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine (PubChem CID 51970586) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
PubChem CID51970586
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
SMILESCC[C@@H](C)n1c(CCN)nc2ccccc21
InChIInChI=1S/C13H19N3/c1-3-10(2)16-12-7-5-4-6-11(12)15-13(16)8-9-14/h4-7,10H,3,8-9,14H2,1-2H3/t10-/m1/s1
InChIKeyFIUVVTJSFIGXHO-SNVBAGLBSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide
CID 63637877
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
CID 55244166
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 81073466
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine (CID 51970586) is 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine is CC[C@@H](C)n1c(CCN)nc2ccccc21.
What is the InChIKey of 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine?
The InChIKey is FIUVVTJSFIGXHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-10(2)16-12-7-5-4-6-11(12)15-13(16)8-9-14/h4-7,10H,3,8-9,14H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine?
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 51970586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).