1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine

C14H18ClN3 — CID 79845623

IUPAC1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCn1c(CC2(N)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C14H18ClN3/c1-2-18-12(9-14(16)7-4-8-14)17-11-6-3-5-10(15)13(11)18/h3,5-6H,2,4,7-9,16H2,1H3
InChIKeyDCXWNQCWJDQWDC-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.13
Rot. Bonds3

About 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine

1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 79845623) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID79845623
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCn1c(CC2(N)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C14H18ClN3/c1-2-18-12(9-14(16)7-4-8-14)17-11-6-3-5-10(15)13(11)18/h3,5-6H,2,4,7-9,16H2,1H3
InChIKeyDCXWNQCWJDQWDC-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine (CID 79845623) is 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine is CCn1c(CC2(N)CCC2)nc2cccc(Cl)c21.
What is the InChIKey of 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is DCXWNQCWJDQWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-18-12(9-14(16)7-4-8-14)17-11-6-3-5-10(15)13(11)18/h3,5-6H,2,4,7-9,16H2,1H3.
What are the key properties of 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79845623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).