1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine

C13H19N3 — CID 43171099

IUPAC1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/C13H19N3/c1-9(2)16-12-7-5-4-6-11(12)15-13(16)8-10(3)14/h4-7,9-10H,8,14H2,1-3H3
InChIKeyCFXMKENXTMKQIJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.51
Rot. Bonds3

About 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine

1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine (PubChem CID 43171099) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
PubChem CID43171099
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/C13H19N3/c1-9(2)16-12-7-5-4-6-11(12)15-13(16)8-10(3)14/h4-7,9-10H,8,14H2,1-3H3
InChIKeyCFXMKENXTMKQIJ-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 81073466
ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
CID 170885928
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 65346686

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine (CID 43171099) is 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine is CC(N)Cc1nc2ccccc2n1C(C)C.
What is the InChIKey of 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is CFXMKENXTMKQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)16-12-7-5-4-6-11(12)15-13(16)8-10(3)14/h4-7,9-10H,8,14H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 43171099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).