4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine

C14H19N3O — CID 66248150

IUPAC4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine
SMILESCCn1c(C2(C)COCC2N)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-3-17-11-7-5-4-6-10(11)16-13(17)14(2)9-18-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyLBRAODYKWQBMIX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.67
Rot. Bonds2

About 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine

4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine (PubChem CID 66248150) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine
PubChem CID66248150
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine
SMILESCCn1c(C2(C)COCC2N)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-3-17-11-7-5-4-6-10(11)16-13(17)14(2)9-18-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyLBRAODYKWQBMIX-UHFFFAOYSA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylimidazo[4,5-c]pyridin-2-yl)-4-methyloxolan-3-amine
CID 66249134
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762313
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83214231
4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine
CID 66250503
2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 83214303
4-methyl-4-(1-methylimidazo[4,5-c]pyridin-2-yl)oxolan-3-amine
CID 66248937
2-(1-ethylimidazo[4,5-c]pyridin-2-yl)-2-methylcyclopentan-1-amine
CID 82763371
1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63133804
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763149
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249009
ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate
CID 79472376
(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
CID 133123786

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine (CID 66248150) is 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine is CCn1c(C2(C)COCC2N)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
The InChIKey is LBRAODYKWQBMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-11-7-5-4-6-10(11)16-13(17)14(2)9-18-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine has a molecular weight of 245.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66248150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).