N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine

C13H16ClN3 — CID 84633655

IUPACN-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1c(Cl)ccc2[nH]c(CCNC3CC3)nc12
InChIInChI=1S/C13H16ClN3/c1-8-10(14)4-5-11-13(8)17-12(16-11)6-7-15-9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyWZJGWZQDWQZDOA-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine

N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine (PubChem CID 84633655) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
PubChem CID84633655
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC NameN-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1c(Cl)ccc2[nH]c(CCNC3CC3)nc12
InChIInChI=1S/C13H16ClN3/c1-8-10(14)4-5-11-13(8)17-12(16-11)6-7-15-9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyWZJGWZQDWQZDOA-UHFFFAOYSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine (CID 84633655) is N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine is Cc1c(Cl)ccc2[nH]c(CCNC3CC3)nc12.
What is the InChIKey of N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is WZJGWZQDWQZDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8-10(14)4-5-11-13(8)17-12(16-11)6-7-15-9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 249.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 84633655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).