N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine

C14H19N3O — CID 115655252

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1nc2ccccc2[nH]1)C1CCOC1
InChIInChI=1S/C14H19N3O/c1-10(11-6-7-18-9-11)15-8-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3,(H,16,17)
InChIKeyLEJYTPXABVACPY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.08
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 115655252) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
PubChem CID115655252
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1nc2ccccc2[nH]1)C1CCOC1
InChIInChI=1S/C14H19N3O/c1-10(11-6-7-18-9-11)15-8-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3,(H,16,17)
InChIKeyLEJYTPXABVACPY-UHFFFAOYSA-N
XLogP2.08
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
CID 78946096
N-[2-(1H-benzimidazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755266
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120797230
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine (CID 115655252) is N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine is CC(NCc1nc2ccccc2[nH]1)C1CCOC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is LEJYTPXABVACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(11-6-7-18-9-11)15-8-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).