1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine

C12H16ClN3 — CID 46310660

IUPAC1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C12H16ClN3/c1-7(2)16-11-6-9(13)4-5-10(11)15-12(16)8(3)14/h4-8H,14H2,1-3H3
InChIKeyYNQQQZGQDOTJJN-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.29
Rot. Bonds2

About 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine

1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine (PubChem CID 46310660) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
PubChem CID46310660
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C12H16ClN3/c1-7(2)16-11-6-9(13)4-5-10(11)15-12(16)8(3)14/h4-8H,14H2,1-3H3
InChIKeyYNQQQZGQDOTJJN-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine (CID 46310660) is 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine is CC(N)c1nc2ccc(Cl)cc2n1C(C)C.
What is the InChIKey of 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The InChIKey is YNQQQZGQDOTJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-7(2)16-11-6-9(13)4-5-10(11)15-12(16)8(3)14/h4-8H,14H2,1-3H3.
What are the key properties of 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine has a molecular weight of 237.73 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 46310660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).