1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole

C29H28N4S — CID 134605166

IUPAC1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole
SMILESc1ccc(C(c2ccccc2)n2cnc3ccc(N4CCN(Cc5cccs5)CC4)cc32)cc1
InChIInChI=1S/C29H28N4S/c1-3-8-23(9-4-1)29(24-10-5-2-6-11-24)33-22-30-27-14-13-25(20-28(27)33)32-17-15-31(16-18-32)21-26-12-7-19-34-26/h1-14,19-20,22,29H,15-18,21H2
InChIKeyDVOKCIAQSIFWFG-UHFFFAOYSA-N
MW464.64 g/mol
LogP6.06
Rot. Bonds6

About 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole

1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole (PubChem CID 134605166) has the molecular formula C29H28N4S and a molecular weight of 464.64 g/mol. Its IUPAC name is 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole
PubChem CID134605166
Molecular FormulaC29H28N4S
Molecular Weight464.64 g/mol
Exact Mass464.20
IUPAC Name1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole
SMILESc1ccc(C(c2ccccc2)n2cnc3ccc(N4CCN(Cc5cccs5)CC4)cc32)cc1
InChIInChI=1S/C29H28N4S/c1-3-8-23(9-4-1)29(24-10-5-2-6-11-24)33-22-30-27-14-13-25(20-28(27)33)32-17-15-31(16-18-32)21-26-12-7-19-34-26/h1-14,19-20,22,29H,15-18,21H2
InChIKeyDVOKCIAQSIFWFG-UHFFFAOYSA-N
XLogP6.06
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.64
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole
CID 134589008
3-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]propanenitrile
CID 139508001
ethyl 2-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]acetate
CID 139507928
N-[3-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]propyl]methanesulfonamide
CID 139507935
1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole
CID 134605369
2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
CID 71624770
4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol
CID 130451354
1-(4-methoxyphenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447806
1-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoquinoline
CID 30756568
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414
2-amino-2-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 119834072
2-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
CID 127042724

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole?
The IUPAC name of 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole (CID 134605166) is 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole?
The canonical SMILES for 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole is c1ccc(C(c2ccccc2)n2cnc3ccc(N4CCN(Cc5cccs5)CC4)cc32)cc1.
What is the InChIKey of 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole?
The InChIKey is DVOKCIAQSIFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4S/c1-3-8-23(9-4-1)29(24-10-5-2-6-11-24)33-22-30-27-14-13-25(20-28(27)33)32-17-15-31(16-18-32)21-26-12-7-19-34-26/h1-14,19-20,22,29H,15-18,21H2.
What are the key properties of 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole?
1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole has a molecular weight of 464.64 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole is sourced from PubChem (CID 134605166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).