(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine

C12H17N3 — CID 25315233

IUPAC(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCC(C)n1c([C@@H](C)N)nc2ccccc21
InChIInChI=1S/C12H17N3/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13/h4-9H,13H2,1-3H3/t9-/m1/s1
InChIKeyDINKAAJNPJWPAK-SECBINFHSA-N
MW203.29 g/mol
LogP2.64
Rot. Bonds2

About (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine

(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine (PubChem CID 25315233) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
PubChem CID25315233
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCC(C)n1c([C@@H](C)N)nc2ccccc21
InChIInChI=1S/C12H17N3/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13/h4-9H,13H2,1-3H3/t9-/m1/s1
InChIKeyDINKAAJNPJWPAK-SECBINFHSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
CID 122169362
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
2-(diethoxymethyl)-1-propan-2-ylbenzimidazole
CID 63772166
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 929475

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine (CID 25315233) is (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine is CC(C)n1c([C@@H](C)N)nc2ccccc21.
What is the InChIKey of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The InChIKey is DINKAAJNPJWPAK-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13/h4-9H,13H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine?
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine has a molecular weight of 203.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 25315233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).