1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride

C25H30Cl2N4S — CID 23345124

IUPAC1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(Cn2c(NC3CCN(CCc4cccs4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C25H28N4S.2ClH/c1-2-7-20(8-3-1)19-29-24-11-5-4-10-23(24)27-25(29)26-21-12-15-28(16-13-21)17-14-22-9-6-18-30-22;;/h1-11,18,21H,12-17,19H2,(H,26,27);2*1H
InChIKeyHSWUEBUIULXOTF-UHFFFAOYSA-N
MW489.52 g/mol
LogP6.11
Rot. Bonds7

About 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride

1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride (PubChem CID 23345124) has the molecular formula C25H30Cl2N4S and a molecular weight of 489.52 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride
PubChem CID23345124
Molecular FormulaC25H30Cl2N4S
Molecular Weight489.52 g/mol
Exact Mass488.16
IUPAC Name1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(Cn2c(NC3CCN(CCc4cccs4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C25H28N4S.2ClH/c1-2-7-20(8-3-1)19-29-24-11-5-4-10-23(24)27-25(29)26-21-12-15-28(16-13-21)17-14-22-9-6-18-30-22;;/h1-11,18,21H,12-17,19H2,(H,26,27);2*1H
InChIKeyHSWUEBUIULXOTF-UHFFFAOYSA-N
XLogP6.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.52
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
1-[(4-fluorophenyl)methyl]-N-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260437
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
4-[4-[(1-benzylbenzimidazol-2-yl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 12891552
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-prop-2-enoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260504
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
(E)-but-2-enedioic acid;3-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]quinoline-2-carboxylic acid
CID 67908825
1,3-dibenzyl-3-[2-[4-[[1-(furan-3-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54427045

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride (CID 23345124) is 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride is Cl.Cl.c1ccc(Cn2c(NC3CCN(CCc4cccs4)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride?
The InChIKey is HSWUEBUIULXOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4S.2ClH/c1-2-7-20(8-3-1)19-29-24-11-5-4-10-23(24)27-25(29)26-21-12-15-28(16-13-21)17-14-22-9-6-18-30-22;;/h1-11,18,21H,12-17,19H2,(H,26,27);2*1H.
What are the key properties of 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride?
1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride has a molecular weight of 489.52 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride is sourced from PubChem (CID 23345124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).