2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine

C13H17N3O — CID 65155678

IUPAC2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(CCC3CCCO3)nc12
InChIInChI=1S/C13H17N3O/c14-10-4-1-5-11-13(10)16-12(15-11)7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8,14H2,(H,15,16)
InChIKeyHAWBYVPEFJLUIX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine

2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine (PubChem CID 65155678) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
PubChem CID65155678
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(CCC3CCCO3)nc12
InChIInChI=1S/C13H17N3O/c14-10-4-1-5-11-13(10)16-12(15-11)7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8,14H2,(H,15,16)
InChIKeyHAWBYVPEFJLUIX-UHFFFAOYSA-N
XLogP2.26
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethyl)-1H-benzimidazol-4-amine
CID 65155676
4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
CID 65155499
2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
CID 63691018
4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
CID 81462840
2-(oxan-2-yl)-1H-benzimidazol-4-amine
CID 63694577
2-undecyl-1H-benzimidazol-4-amine
CID 65427678
5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360918
7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 63950960
2-(ethoxymethyl)-1H-benzimidazol-4-amine
CID 63691528
5-[2-(oxolan-2-yl)ethyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 65155553
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine (CID 65155678) is 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(CCC3CCCO3)nc12.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine?
The InChIKey is HAWBYVPEFJLUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-4-1-5-11-13(10)16-12(15-11)7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8,14H2,(H,15,16).
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine?
2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine is sourced from PubChem (CID 65155678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).