2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine

C12H16ClN3 — CID 83897839

IUPAC2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine
SMILESCC(C)n1cnc2cc(CCN)cc(Cl)c21
InChIInChI=1S/C12H16ClN3/c1-8(2)16-7-15-11-6-9(3-4-14)5-10(13)12(11)16/h5-8H,3-4,14H2,1-2H3
InChIKeyJSXUUYHUCKFOEE-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.77
Rot. Bonds3

About 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine

2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine (PubChem CID 83897839) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine
PubChem CID83897839
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine
SMILESCC(C)n1cnc2cc(CCN)cc(Cl)c21
InChIInChI=1S/C12H16ClN3/c1-8(2)16-7-15-11-6-9(3-4-14)5-10(13)12(11)16/h5-8H,3-4,14H2,1-2H3
InChIKeyJSXUUYHUCKFOEE-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84662755
1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine
CID 83891504
2-(3-methylimidazo[4,5-b]pyridin-6-yl)ethanamine
CID 83874573
2-[3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773168
3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine
CID 83902839
2-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine
CID 81159919
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine
CID 83876858
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
CID 23071601
3-propan-2-ylimidazo[4,5-b]pyridin-6-amine
CID 82468177
2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
CID 84727595

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine?
The IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine (CID 83897839) is 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine is CC(C)n1cnc2cc(CCN)cc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine?
The InChIKey is JSXUUYHUCKFOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(2)16-7-15-11-6-9(3-4-14)5-10(13)12(11)16/h5-8H,3-4,14H2,1-2H3.
What are the key properties of 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine?
2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine has a molecular weight of 237.73 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 83897839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).