[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride

C11H17Cl2N3O2 — CID 170918592

IUPAC[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride
SMILESCOCCOc1cccc2[nH]c(CN)nc12.Cl.Cl
InChIInChI=1S/C11H15N3O2.2ClH/c1-15-5-6-16-9-4-2-3-8-11(9)14-10(7-12)13-8;;/h2-4H,5-7,12H2,1H3,(H,13,14);2*1H
InChIKeyDVWDDPDGMSJNNI-UHFFFAOYSA-N
MW294.18 g/mol
LogP1.89
Rot. Bonds5

About [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride

[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride (PubChem CID 170918592) has the molecular formula C11H17Cl2N3O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride
PubChem CID170918592
Molecular FormulaC11H17Cl2N3O2
Molecular Weight294.18 g/mol
Exact Mass293.07
IUPAC Name[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride
SMILESCOCCOc1cccc2[nH]c(CN)nc12.Cl.Cl
InChIInChI=1S/C11H15N3O2.2ClH/c1-15-5-6-16-9-4-2-3-8-11(9)14-10(7-12)13-8;;/h2-4H,5-7,12H2,1H3,(H,13,14);2*1H
InChIKeyDVWDDPDGMSJNNI-UHFFFAOYSA-N
XLogP1.89
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride
CID 170911905
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole
CID 141359482
2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine
CID 142643857
2-methyl-4-pentoxy-1H-benzimidazole
CID 90997135
8-(2-methoxyethoxy)quinoline-2-carbaldehyde
CID 150689911
4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide
CID 162143796
3H-imidazo[4,5-h]quinolin-2-ylmethanamine
CID 67931489
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine
CID 170918495
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 63772504

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride?
The IUPAC name of [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride (CID 170918592) is [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride is COCCOc1cccc2[nH]c(CN)nc12.Cl.Cl.
What is the InChIKey of [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride?
The InChIKey is DVWDDPDGMSJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.2ClH/c1-15-5-6-16-9-4-2-3-8-11(9)14-10(7-12)13-8;;/h2-4H,5-7,12H2,1H3,(H,13,14);2*1H.
What are the key properties of [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride?
[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride has a molecular weight of 294.18 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 170918592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).