1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C16H24Cl2N4 — CID 120782258

IUPAC1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCl.Cn1c(CN2CCC(N)C(C)(C)C2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H23ClN4.ClH/c1-16(2)10-21(7-6-14(16)18)9-15-19-12-5-4-11(17)8-13(12)20(15)3;/h4-5,8,14H,6-7,9-10,18H2,1-3H3;1H
InChIKeyLBNLDPRUWDICTO-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.21
Rot. Bonds2

About 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120782258) has the molecular formula C16H24Cl2N4 and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120782258
Molecular FormulaC16H24Cl2N4
Molecular Weight343.30 g/mol
Exact Mass342.14
IUPAC Name1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCl.Cn1c(CN2CCC(N)C(C)(C)C2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H23ClN4.ClH/c1-16(2)10-21(7-6-14(16)18)9-15-19-12-5-4-11(17)8-13(12)20(15)3;/h4-5,8,14H,6-7,9-10,18H2,1-3H3;1H
InChIKeyLBNLDPRUWDICTO-UHFFFAOYSA-N
XLogP3.21
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120782258) is 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is Cl.Cn1c(CN2CCC(N)C(C)(C)C2)nc2ccc(Cl)cc21.
What is the InChIKey of 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is LBNLDPRUWDICTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4.ClH/c1-16(2)10-21(7-6-14(16)18)9-15-19-12-5-4-11(17)8-13(12)20(15)3;/h4-5,8,14H,6-7,9-10,18H2,1-3H3;1H.
What are the key properties of 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 343.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120782258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).