1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine

C14H18ClN3 — CID 115472770

IUPAC1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCn1c(CC2(N)CCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-2-18-12-8-10(15)4-5-11(12)17-13(18)9-14(16)6-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3
InChIKeyKUTAYBDICARXNQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.13
Rot. Bonds3

About 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine

1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 115472770) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID115472770
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCn1c(CC2(N)CCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-2-18-12-8-10(15)4-5-11(12)17-13(18)9-14(16)6-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3
InChIKeyKUTAYBDICARXNQ-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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Related Compounds

1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672416
1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
CID 113316624
1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79845623
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
CID 113316608
2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine
CID 115472609
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672025
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine (CID 115472770) is 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine is CCn1c(CC2(N)CCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is KUTAYBDICARXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-18-12-8-10(15)4-5-11(12)17-13(18)9-14(16)6-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3.
What are the key properties of 1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
1-[(6-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-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115472770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).