1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride

C9H13Cl2N3 — CID 13169407

IUPAC1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-10-6-9-11-7-4-2-3-5-8(7)12-9;;/h2-5,10H,6H2,1H3,(H,11,12);2*1H
InChIKeyCNFKFLUGCPBOPK-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.13
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride

1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride (PubChem CID 13169407) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
PubChem CID13169407
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-10-6-9-11-7-4-2-3-5-8(7)12-9;;/h2-5,10H,6H2,1H3,(H,11,12);2*1H
InChIKeyCNFKFLUGCPBOPK-UHFFFAOYSA-N
XLogP2.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103389827
bis(2-ethyl-1H-benzimidazole);sulfane
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1H-benzimidazol-2-ylmethanamine;hydrate
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CID 58296357
CID 58296357
2-(1H-benzimidazol-2-yl)acetonitrile
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(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
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N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
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N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride (CID 13169407) is 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride is CNCc1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride?
The InChIKey is CNFKFLUGCPBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2ClH/c1-10-6-9-11-7-4-2-3-5-8(7)12-9;;/h2-5,10H,6H2,1H3,(H,11,12);2*1H.
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride?
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 13169407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).