1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine

C16H23N3 — CID 79878884

IUPAC1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C1CCCC1(C)C
InChIInChI=1S/C16H23N3/c1-4-15-18-12-10-11(17)7-8-13(12)19(15)14-6-5-9-16(14,2)3/h7-8,10,14H,4-6,9,17H2,1-3H3
InChIKeyHWYVKFARLVPNQB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.93
Rot. Bonds2

About 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine

1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine (PubChem CID 79878884) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine
PubChem CID79878884
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C1CCCC1(C)C
InChIInChI=1S/C16H23N3/c1-4-15-18-12-10-11(17)7-8-13(12)19(15)14-6-5-9-16(14,2)3/h7-8,10,14H,4-6,9,17H2,1-3H3
InChIKeyHWYVKFARLVPNQB-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine (CID 79878884) is 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine?
The InChIKey is HWYVKFARLVPNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-15-18-12-10-11(17)7-8-13(12)19(15)14-6-5-9-16(14,2)3/h7-8,10,14H,4-6,9,17H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine?
1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 79878884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).