3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine

C13H17N3O — CID 114202823

IUPAC3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine
SMILESCCn1c(C2CCOC2)nc2ccc(N)cc21
InChIInChI=1S/C13H17N3O/c1-2-16-12-7-10(14)3-4-11(12)15-13(16)9-5-6-17-8-9/h3-4,7,9H,2,5-6,8,14H2,1H3
InChIKeyMUCNIROEDNGFDC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds2

About 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine

3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine (PubChem CID 114202823) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine
PubChem CID114202823
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine
SMILESCCn1c(C2CCOC2)nc2ccc(N)cc21
InChIInChI=1S/C13H17N3O/c1-2-16-12-7-10(14)3-4-11(12)15-13(16)9-5-6-17-8-9/h3-4,7,9H,2,5-6,8,14H2,1H3
InChIKeyMUCNIROEDNGFDC-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
CID 113316577
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
1,3-dimethyl-5-[2-(oxolan-3-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582821
2-[[methyl(oxolan-3-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 82731856
4-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 60810395
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine
CID 114202853
2-(1,4-dioxan-2-yl)-1-ethylbenzimidazole-5-carbonitrile
CID 65035535
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine?
The IUPAC name of 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine (CID 114202823) is 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine.
What is the SMILES notation for 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine?
The canonical SMILES for 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine is CCn1c(C2CCOC2)nc2ccc(N)cc21.
What is the InChIKey of 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine?
The InChIKey is MUCNIROEDNGFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16-12-7-10(14)3-4-11(12)15-13(16)9-5-6-17-8-9/h3-4,7,9H,2,5-6,8,14H2,1H3.
What are the key properties of 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine?
3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine is sourced from PubChem (CID 114202823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).