5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine

C14H18ClN3O — CID 63828806

IUPAC5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCOC1CCCC1
InChIInChI=1S/C14H18ClN3O/c15-10-5-6-13-12(9-10)17-14(16)18(13)7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2,(H2,16,17)
InChIKeyJTQAQLPRICDEDN-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine

5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine (PubChem CID 63828806) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
PubChem CID63828806
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCOC1CCCC1
InChIInChI=1S/C14H18ClN3O/c15-10-5-6-13-12(9-10)17-14(16)18(13)7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2,(H2,16,17)
InChIKeyJTQAQLPRICDEDN-UHFFFAOYSA-N
XLogP3.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682
5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827040
1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100812
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297
2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole
CID 63826513
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
5-chloro-1-(thian-4-ylmethyl)benzimidazol-2-amine
CID 113487879
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874
5-chloro-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-2-amine
CID 81040515
5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520901
5-chloro-1-[[1-(dimethylamino)cyclopentyl]methyl]benzimidazol-2-amine
CID 83115256
5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 107164637

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine (CID 63828806) is 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1CCOC1CCCC1.
What is the InChIKey of 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine?
The InChIKey is JTQAQLPRICDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-10-5-6-13-12(9-10)17-14(16)18(13)7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2,(H2,16,17).
What are the key properties of 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine?
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine is sourced from PubChem (CID 63828806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).