7-chloro-1-hexan-3-ylbenzimidazol-2-amine

C13H18ClN3 — CID 62117285

IUPAC7-chloro-1-hexan-3-ylbenzimidazol-2-amine
SMILESCCCC(CC)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C13H18ClN3/c1-3-6-9(4-2)17-12-10(14)7-5-8-11(12)16-13(17)15/h5,7-9H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyLRNFJHXKPBTTTL-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.02
Rot. Bonds4

About 7-chloro-1-hexan-3-ylbenzimidazol-2-amine

7-chloro-1-hexan-3-ylbenzimidazol-2-amine (PubChem CID 62117285) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 7-chloro-1-hexan-3-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-hexan-3-ylbenzimidazol-2-amine
PubChem CID62117285
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name7-chloro-1-hexan-3-ylbenzimidazol-2-amine
SMILESCCCC(CC)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C13H18ClN3/c1-3-6-9(4-2)17-12-10(14)7-5-8-11(12)16-13(17)15/h5,7-9H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyLRNFJHXKPBTTTL-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-hexan-3-ylbenzimidazol-2-amine?
The IUPAC name of 7-chloro-1-hexan-3-ylbenzimidazol-2-amine (CID 62117285) is 7-chloro-1-hexan-3-ylbenzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-hexan-3-ylbenzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-hexan-3-ylbenzimidazol-2-amine is CCCC(CC)n1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-hexan-3-ylbenzimidazol-2-amine?
The InChIKey is LRNFJHXKPBTTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-3-6-9(4-2)17-12-10(14)7-5-8-11(12)16-13(17)15/h5,7-9H,3-4,6H2,1-2H3,(H2,15,16).
What are the key properties of 7-chloro-1-hexan-3-ylbenzimidazol-2-amine?
7-chloro-1-hexan-3-ylbenzimidazol-2-amine has a molecular weight of 251.76 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-hexan-3-ylbenzimidazol-2-amine is sourced from PubChem (CID 62117285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).