N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine

C12H17N3O — CID 83961851

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-16-8-4-7-13-9-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,13H,4,7-9H2,1H3,(H,14,15)
InChIKeyZQEPGBDTDCFYEB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.69
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine

N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine (PubChem CID 83961851) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
PubChem CID83961851
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-16-8-4-7-13-9-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,13H,4,7-9H2,1H3,(H,14,15)
InChIKeyZQEPGBDTDCFYEB-UHFFFAOYSA-N
XLogP1.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
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2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-benzimidazole
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1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
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N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole
CID 18811154
benzyl N-[6-(1H-benzimidazol-2-ylmethylamino)hexyl]carbamate
CID 20577728
3-(1H-benzimidazol-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 66528592
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine (CID 83961851) is N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine is COCCCNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine?
The InChIKey is ZQEPGBDTDCFYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-8-4-7-13-9-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,13H,4,7-9H2,1H3,(H,14,15).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine?
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.69, 6 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)-3-methoxypropan-1-amine is sourced from PubChem (CID 83961851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).