1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine

C15H21N3O — CID 62673724

IUPAC1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(NCC1CCOCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H21N3O/c1-11(16-10-12-6-8-19-9-7-12)15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12,16H,6-10H2,1H3,(H,17,18)
InChIKeyALZSAVIGZNYKAI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine

1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62673724) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62673724
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(NCC1CCOCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H21N3O/c1-11(16-10-12-6-8-19-9-7-12)15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12,16H,6-10H2,1H3,(H,17,18)
InChIKeyALZSAVIGZNYKAI-UHFFFAOYSA-N
XLogP2.64
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
CID 62669156
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 60664261
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 84594730
1-(1H-benzimidazol-2-yl)-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 60665126
1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
CID 55023348
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128839198
1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 62673724) is 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine is CC(NCC1CCOCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is ALZSAVIGZNYKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(16-10-12-6-8-19-9-7-12)15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62673724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).