1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine

C14H18ClN3 — CID 113316624

IUPAC1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
SMILESCCCn1c(C2(N)CCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-2-8-18-12-9-10(15)4-5-11(12)17-13(18)14(16)6-3-7-14/h4-5,9H,2-3,6-8,16H2,1H3
InChIKeyBQNJODRTDIBLHQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.44
Rot. Bonds3

About 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine

1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine (PubChem CID 113316624) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
PubChem CID113316624
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
SMILESCCCn1c(C2(N)CCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-2-8-18-12-9-10(15)4-5-11(12)17-13(18)14(16)6-3-7-14/h4-5,9H,2-3,6-8,16H2,1H3
InChIKeyBQNJODRTDIBLHQ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 115472770
3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine
CID 64889974
1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291013
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
CID 62377574
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
CID 115472892
4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine
CID 115292258
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
CID 113316608
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135
6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
CID 46310785
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine (CID 113316624) is 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine is CCCn1c(C2(N)CCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine?
The InChIKey is BQNJODRTDIBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-8-18-12-9-10(15)4-5-11(12)17-13(18)14(16)6-3-7-14/h4-5,9H,2-3,6-8,16H2,1H3.
What are the key properties of 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine?
1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 113316624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).