[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C15H22Cl2N4 — CID 120780786

IUPAC[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.Cn1c(CN2CCC(C)(CN)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN4.ClH/c1-15(9-17)5-6-20(10-15)8-14-18-12-7-11(16)3-4-13(12)19(14)2;/h3-4,7H,5-6,8-10,17H2,1-2H3;1H
InChIKeyJHZLNDDRBVIJRZ-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.82
Rot. Bonds3

About [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780786) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.28 g/mol. Its IUPAC name is [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780786
Molecular FormulaC15H22Cl2N4
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.Cn1c(CN2CCC(C)(CN)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN4.ClH/c1-15(9-17)5-6-20(10-15)8-14-18-12-7-11(16)3-4-13(12)19(14)2;/h3-4,7H,5-6,8-10,17H2,1-2H3;1H
InChIKeyJHZLNDDRBVIJRZ-UHFFFAOYSA-N
XLogP2.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780786) is [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is Cl.Cn1c(CN2CCC(C)(CN)C2)nc2cc(Cl)ccc21.
What is the InChIKey of [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is JHZLNDDRBVIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4.ClH/c1-15(9-17)5-6-20(10-15)8-14-18-12-7-11(16)3-4-13(12)19(14)2;/h3-4,7H,5-6,8-10,17H2,1-2H3;1H.
What are the key properties of [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 329.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).