1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride

C14H20ClN3 — CID 171779762

IUPAC1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
SMILESCl.Cn1c(CC2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H19N3.ClH/c1-17-13-5-3-2-4-12(13)16-14(17)10-11-6-8-15-9-7-11;/h2-5,11,15H,6-10H2,1H3;1H
InChIKeyBNNLRLWZIIADAP-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.54
Rot. Bonds2

About 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride

1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride (PubChem CID 171779762) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
PubChem CID171779762
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
SMILESCl.Cn1c(CC2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H19N3.ClH/c1-17-13-5-3-2-4-12(13)16-14(17)10-11-6-8-15-9-7-11;/h2-5,11,15H,6-10H2,1H3;1H
InChIKeyBNNLRLWZIIADAP-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142
1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 14012865
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858069
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole
CID 20819849
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 84636845
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 96679334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride?
The IUPAC name of 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride (CID 171779762) is 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride.
What is the SMILES notation for 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride?
The canonical SMILES for 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride is Cl.Cn1c(CC2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride?
The InChIKey is BNNLRLWZIIADAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-17-13-5-3-2-4-12(13)16-14(17)10-11-6-8-15-9-7-11;/h2-5,11,15H,6-10H2,1H3;1H.
What are the key properties of 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride?
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride is sourced from PubChem (CID 171779762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).