2-(oxan-2-yl)-1H-benzimidazol-4-amine

C12H15N3O — CID 63694577

IUPAC2-(oxan-2-yl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(C3CCCCO3)nc12
InChIInChI=1S/C12H15N3O/c13-8-4-3-5-9-11(8)15-12(14-9)10-6-1-2-7-16-10/h3-5,10H,1-2,6-7,13H2,(H,14,15)
InChIKeyGTOLBNDKSBFPDZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.39
Rot. Bonds1

About 2-(oxan-2-yl)-1H-benzimidazol-4-amine

2-(oxan-2-yl)-1H-benzimidazol-4-amine (PubChem CID 63694577) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(oxan-2-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(oxan-2-yl)-1H-benzimidazol-4-amine
PubChem CID63694577
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(oxan-2-yl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(C3CCCCO3)nc12
InChIInChI=1S/C12H15N3O/c13-8-4-3-5-9-11(8)15-12(14-9)10-6-1-2-7-16-10/h3-5,10H,1-2,6-7,13H2,(H,14,15)
InChIKeyGTOLBNDKSBFPDZ-UHFFFAOYSA-N
XLogP2.39
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.39
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

4-methyl-2-(oxan-2-yl)-1H-benzimidazole-5-carbonitrile
CID 123952783
2-(oxolan-2-ylmethyl)-1H-benzimidazol-4-amine
CID 65155676
1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine
CID 123516619
6-bromo-4-methyl-2-(oxan-2-yl)-1H-benzimidazole
CID 104574556
2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
CID 65155678
2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
CID 63691018
[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 123795026
5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
CID 62214074
7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 63722483
2-chloro-6-(oxan-2-yl)pyridin-3-amine
CID 115028133
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 159402120

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(oxan-2-yl)-1H-benzimidazol-4-amine (CID 63694577) is 2-(oxan-2-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(oxan-2-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(oxan-2-yl)-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(C3CCCCO3)nc12.
What is the InChIKey of 2-(oxan-2-yl)-1H-benzimidazol-4-amine?
The InChIKey is GTOLBNDKSBFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-4-3-5-9-11(8)15-12(14-9)10-6-1-2-7-16-10/h3-5,10H,1-2,6-7,13H2,(H,14,15).
What are the key properties of 2-(oxan-2-yl)-1H-benzimidazol-4-amine?
2-(oxan-2-yl)-1H-benzimidazol-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63694577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).