2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride

C10H15Cl2N3 — CID 45075160

IUPAC2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CCN)nc2ccccc21
InChIInChI=1S/C10H13N3.2ClH/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11;;/h2-5H,6-7,11H2,1H3;2*1H
InChIKeyPZRXJCCZWOQMOU-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.92
Rot. Bonds2

About 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride

2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride (PubChem CID 45075160) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
PubChem CID45075160
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CCN)nc2ccccc21
InChIInChI=1S/C10H13N3.2ClH/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11;;/h2-5H,6-7,11H2,1H3;2*1H
InChIKeyPZRXJCCZWOQMOU-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83962059
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
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3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
2-(iodomethyl)-1-methylbenzimidazole
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N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
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2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride (CID 45075160) is 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride is Cl.Cl.Cn1c(CCN)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is PZRXJCCZWOQMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.2ClH/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11;;/h2-5H,6-7,11H2,1H3;2*1H.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 248.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 45075160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).