3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine

C12H16ClN3 — CID 60786927

IUPAC3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
SMILESCCn1c(CCCN)nc2cccc(Cl)c21
InChIInChI=1S/C12H16ClN3/c1-2-16-11(7-4-8-14)15-10-6-3-5-9(13)12(10)16/h3,5-6H,2,4,7-8,14H2,1H3
InChIKeyJDOJFZAQVPRKPJ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.60
Rot. Bonds4

About 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine

3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine (PubChem CID 60786927) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
PubChem CID60786927
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
SMILESCCn1c(CCCN)nc2cccc(Cl)c21
InChIInChI=1S/C12H16ClN3/c1-2-16-11(7-4-8-14)15-10-6-3-5-9(13)12(10)16/h3,5-6H,2,4,7-8,14H2,1H3
InChIKeyJDOJFZAQVPRKPJ-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine (CID 60786927) is 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine is CCn1c(CCCN)nc2cccc(Cl)c21.
What is the InChIKey of 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is JDOJFZAQVPRKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-2-16-11(7-4-8-14)15-10-6-3-5-9(13)12(10)16/h3,5-6H,2,4,7-8,14H2,1H3.
What are the key properties of 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine?
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 237.73 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 60786927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).