2-cyclopentyl-1-ethylbenzimidazol-5-amine

C14H19N3 — CID 82391011

IUPAC2-cyclopentyl-1-ethylbenzimidazol-5-amine
SMILESCCn1c(C2CCCC2)nc2cc(N)ccc21
InChIInChI=1S/C14H19N3/c1-2-17-13-8-7-11(15)9-12(13)16-14(17)10-5-3-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeyOMWXVIIMQKSZFC-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.30
Rot. Bonds2

About 2-cyclopentyl-1-ethylbenzimidazol-5-amine

2-cyclopentyl-1-ethylbenzimidazol-5-amine (PubChem CID 82391011) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-1-ethylbenzimidazol-5-amine
PubChem CID82391011
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-cyclopentyl-1-ethylbenzimidazol-5-amine
SMILESCCn1c(C2CCCC2)nc2cc(N)ccc21
InChIInChI=1S/C14H19N3/c1-2-17-13-8-7-11(15)9-12(13)16-14(17)10-5-3-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeyOMWXVIIMQKSZFC-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040296
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830686
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
4-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 60810395
2-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-5-amine
CID 81042244
2-cyclohexyl-1-ethylindol-5-amine
CID 67284570
3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine
CID 114202823

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-ethylbenzimidazol-5-amine?
The IUPAC name of 2-cyclopentyl-1-ethylbenzimidazol-5-amine (CID 82391011) is 2-cyclopentyl-1-ethylbenzimidazol-5-amine.
What is the SMILES notation for 2-cyclopentyl-1-ethylbenzimidazol-5-amine?
The canonical SMILES for 2-cyclopentyl-1-ethylbenzimidazol-5-amine is CCn1c(C2CCCC2)nc2cc(N)ccc21.
What is the InChIKey of 2-cyclopentyl-1-ethylbenzimidazol-5-amine?
The InChIKey is OMWXVIIMQKSZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-17-13-8-7-11(15)9-12(13)16-14(17)10-5-3-4-6-10/h7-10H,2-6,15H2,1H3.
What are the key properties of 2-cyclopentyl-1-ethylbenzimidazol-5-amine?
2-cyclopentyl-1-ethylbenzimidazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-ethylbenzimidazol-5-amine is sourced from PubChem (CID 82391011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).